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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/14019_5-fb8a979c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5-fb8a979c/inputs/seq.fa: 1 curr_seq: _GCUGCAGCUUUCUCUGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUGCAGCUUUCUCUGCGC 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 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: 1 Temperature: 0.950000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -70.797726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797726 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -125.419321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.419321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.419321 (E_RNA) where: Base-Base interactions energy: -61.097 where: short stacking energy: -61.097 Base-Backbone interact. energy: -0.059 local terms energy: -64.264164 where: bonds (distance) C4'-P energy: -9.783 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -13.283 tors. eta vs tors. theta energy: -15.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -129.682242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.682242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.682242 (E_RNA) where: Base-Base interactions energy: -59.790 where: short stacking energy: -59.790 Base-Backbone interact. energy: -0.004 local terms energy: -69.887715 where: bonds (distance) C4'-P energy: -15.965 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -10.766 tors. eta vs tors. theta energy: -17.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -107.783126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.783126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.783126 (E_RNA) where: Base-Base interactions energy: -54.000 where: short stacking energy: -33.079 Base-Backbone interact. energy: -0.181 local terms energy: -53.602279 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -12.424 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -6.490 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -147.465527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.465527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.465527 (E_RNA) where: Base-Base interactions energy: -84.249 where: short stacking energy: -41.100 Base-Backbone interact. energy: -0.004 local terms energy: -63.212269 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -12.234 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -110.200596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.200596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.200596 (E_RNA) where: Base-Base interactions energy: -50.113 where: short stacking energy: -49.074 Base-Backbone interact. energy: -0.013 local terms energy: -60.074775 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -13.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -96.188128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.188128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.188128 (E_RNA) where: Base-Base interactions energy: -42.713 where: short stacking energy: -39.044 Base-Backbone interact. energy: 1.244 local terms energy: -54.719689 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -14.362 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -83.253697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.253697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.253697 (E_RNA) where: Base-Base interactions energy: -36.630 where: short stacking energy: -34.635 Base-Backbone interact. energy: -0.391 local terms energy: -46.231970 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -10.716 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -6.257 tors. eta vs tors. theta energy: -3.383 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -78.868903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.868903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.868903 (E_RNA) where: Base-Base interactions energy: -34.249 where: short stacking energy: -31.659 Base-Backbone interact. energy: -0.195 local terms energy: -44.425332 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -1.171 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: 2 Temperature: 1.300000 Total energy: -77.685725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.685725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.685725 (E_RNA) where: Base-Base interactions energy: -39.338 where: short stacking energy: -21.086 Base-Backbone interact. energy: -0.236 local terms energy: -38.111405 where: bonds (distance) C4'-P energy: -9.915 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -71.306452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.306452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.306452 (E_RNA) where: Base-Base interactions energy: -29.218 where: short stacking energy: -29.218 Base-Backbone interact. energy: -0.097 local terms energy: -41.991297 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -11.255 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -128.027255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.027255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.027255 (E_RNA) where: Base-Base interactions energy: -62.648 where: short stacking energy: -56.314 Base-Backbone interact. energy: -0.472 local terms energy: -64.907663 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -10.788 tors. eta vs tors. theta energy: -11.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -170.040923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.040923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.040923 (E_RNA) where: Base-Base interactions energy: -106.883 where: short stacking energy: -55.011 Base-Backbone interact. energy: -0.022 local terms energy: -63.136153 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -17.365 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -11.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -109.399928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.399928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.399928 (E_RNA) where: Base-Base interactions energy: -53.760 where: short stacking energy: -41.129 Base-Backbone interact. energy: -0.018 local terms energy: -55.621847 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -194.006731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.006731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.006731 (E_RNA) where: Base-Base interactions energy: -124.963 where: short stacking energy: -52.637 Base-Backbone interact. energy: -0.010 local terms energy: -69.033163 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -12.974 tors. eta vs tors. theta energy: -13.093 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -92.438658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.438658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.438658 (E_RNA) where: Base-Base interactions energy: -40.762 where: short stacking energy: -35.044 Base-Backbone interact. energy: -0.068 local terms energy: -51.609104 where: bonds (distance) C4'-P energy: -10.669 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -11.742 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: -5.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -99.107024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.107024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.107024 (E_RNA) where: Base-Base interactions energy: -41.790 where: short stacking energy: -41.790 Base-Backbone interact. energy: 0.496 local terms energy: -57.813100 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -9.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -101.608182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.608182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.608182 (E_RNA) where: Base-Base interactions energy: -40.896 where: short stacking energy: -41.732 Base-Backbone interact. energy: -0.088 local terms energy: -60.624981 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -10.924 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: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -130.735041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.735041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.735041 (E_RNA) where: Base-Base interactions energy: -87.275 where: short stacking energy: -30.917 Base-Backbone interact. energy: -0.031 local terms energy: -43.428975 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -12.474 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -7.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -87.291345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.291345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.291345 (E_RNA) where: Base-Base interactions energy: -32.664 where: short stacking energy: -32.664 Base-Backbone interact. energy: 0.615 local terms energy: -55.242957 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -16.515 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -84.789612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.789612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.789612 (E_RNA) where: Base-Base interactions energy: -36.739 where: short stacking energy: -26.345 Base-Backbone interact. energy: 1.247 local terms energy: -49.297146 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -182.960579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.960579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.960579 (E_RNA) where: Base-Base interactions energy: -110.973 where: short stacking energy: -55.895 Base-Backbone interact. energy: -1.579 local terms energy: -70.408760 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -13.419 tors. eta vs tors. theta energy: -14.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -142.424722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.424722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.424722 (E_RNA) where: Base-Base interactions energy: -80.386 where: short stacking energy: -52.660 Base-Backbone interact. energy: -0.029 local terms energy: -62.009836 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -14.939 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -202.232324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.232324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.232324 (E_RNA) where: Base-Base interactions energy: -135.461 where: short stacking energy: -61.487 Base-Backbone interact. energy: 0.223 local terms energy: -66.994455 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -10.693 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: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -135.566141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.566141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.566141 (E_RNA) where: Base-Base interactions energy: -72.369 where: short stacking energy: -43.791 Base-Backbone interact. energy: -0.062 local terms energy: -63.135257 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -12.430 tors. eta vs tors. theta energy: -11.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -94.171050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.171050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.171050 (E_RNA) where: Base-Base interactions energy: -36.547 where: short stacking energy: -36.547 Base-Backbone interact. energy: -0.086 local terms energy: -57.538406 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -7.406 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: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -103.166632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.166632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.166632 (E_RNA) where: Base-Base interactions energy: -54.389 where: short stacking energy: -34.600 Base-Backbone interact. energy: -0.873 local terms energy: -47.904185 where: bonds (distance) C4'-P energy: -11.911 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -8.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -137.462353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.462353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.462353 (E_RNA) where: Base-Base interactions energy: -93.276 where: short stacking energy: -40.492 Base-Backbone interact. energy: 0.865 local terms energy: -45.051221 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -77.121480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.121480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.121480 (E_RNA) where: Base-Base interactions energy: -32.420 where: short stacking energy: -26.212 Base-Backbone interact. energy: -0.085 local terms energy: -44.616490 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -99.802077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.802077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.802077 (E_RNA) where: Base-Base interactions energy: -61.282 where: short stacking energy: -26.849 Base-Backbone interact. energy: -1.163 local terms energy: -37.357628 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: 0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -63.770248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.770248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.770248 (E_RNA) where: Base-Base interactions energy: -21.810 where: short stacking energy: -18.292 Base-Backbone interact. energy: -0.118 local terms energy: -41.842437 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -9.233 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -190.958356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.958356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.958356 (E_RNA) where: Base-Base interactions energy: -119.178 where: short stacking energy: -58.621 Base-Backbone interact. energy: 0.013 local terms energy: -71.793638 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -10.759 tors. eta vs tors. theta energy: -18.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -208.801187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.801187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.801187 (E_RNA) where: Base-Base interactions energy: -140.175 where: short stacking energy: -68.094 Base-Backbone interact. energy: -0.017 local terms energy: -68.609714 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -15.226 flat angles P-C4'-P energy: -11.400 tors. eta vs tors. theta energy: -14.585 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: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -164.633982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.633982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.633982 (E_RNA) where: Base-Base interactions energy: -106.647 where: short stacking energy: -51.931 Base-Backbone interact. energy: -0.048 local terms energy: -57.939044 where: bonds (distance) C4'-P energy: -11.774 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -9.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -99.673649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.673649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.673649 (E_RNA) where: Base-Base interactions energy: -46.845 where: short stacking energy: -47.365 Base-Backbone interact. energy: -0.106 local terms energy: -52.722607 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -6.320 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: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -128.155006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.155006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.155006 (E_RNA) where: Base-Base interactions energy: -75.081 where: short stacking energy: -36.464 Base-Backbone interact. energy: -0.199 local terms energy: -52.874387 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -12.923 flat angles P-C4'-P energy: -9.473 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -159.669490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.669490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.669490 (E_RNA) where: Base-Base interactions energy: -101.304 where: short stacking energy: -52.606 Base-Backbone interact. energy: -0.596 local terms energy: -57.769483 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -15.714 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -9.339 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: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -77.226646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.226646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.226646 (E_RNA) where: Base-Base interactions energy: -30.373 where: short stacking energy: -30.373 Base-Backbone interact. energy: -0.302 local terms energy: -46.551801 where: bonds (distance) C4'-P energy: -10.335 bonds (distance) P-C4' energy: -14.245 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -87.983970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.983970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.983970 (E_RNA) where: Base-Base interactions energy: -36.091 where: short stacking energy: -29.601 Base-Backbone interact. energy: -0.044 local terms energy: -51.849536 where: bonds (distance) C4'-P energy: -9.692 bonds (distance) P-C4' energy: -16.293 flat angles C4'-P-C4' energy: -12.516 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -98.083883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.083883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.083883 (E_RNA) where: Base-Base interactions energy: -51.255 where: short stacking energy: -24.097 Base-Backbone interact. energy: -1.781 local terms energy: -45.047575 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -0.928 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: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -75.036972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.036972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.036972 (E_RNA) where: Base-Base interactions energy: -28.056 where: short stacking energy: -28.056 Base-Backbone interact. energy: 1.009 local terms energy: -47.990854 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -7.859 flat angles C4'-P-C4' energy: -11.502 flat angles P-C4'-P energy: -9.092 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -209.784680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.784680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.784680 (E_RNA) where: Base-Base interactions energy: -141.251 where: short stacking energy: -66.465 Base-Backbone interact. energy: -0.319 local terms energy: -68.214936 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -18.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -211.437299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.437299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.437299 (E_RNA) where: Base-Base interactions energy: -143.175 where: short stacking energy: -63.018 Base-Backbone interact. energy: -0.382 local terms energy: -67.880688 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -11.097 flat angles P-C4'-P energy: -10.630 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: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -203.862539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.862539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.862539 (E_RNA) where: Base-Base interactions energy: -132.649 where: short stacking energy: -60.709 Base-Backbone interact. energy: -0.309 local terms energy: -70.904844 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -18.643 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: 7 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -99.516213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.516213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.516213 (E_RNA) where: Base-Base interactions energy: -40.736 where: short stacking energy: -40.736 Base-Backbone interact. energy: -0.097 local terms energy: -58.683486 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -10.217 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -9.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -150.983666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.983666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.983666 (E_RNA) where: Base-Base interactions energy: -89.843 where: short stacking energy: -41.528 Base-Backbone interact. energy: -0.366 local terms energy: -60.774883 where: bonds (distance) C4'-P energy: -15.554 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -12.314 flat angles P-C4'-P energy: -10.695 tors. eta vs tors. theta energy: -8.744 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: 6, replica: 2 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -120.035175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.035175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.035175 (E_RNA) where: Base-Base interactions energy: -70.894 where: short stacking energy: -33.076 Base-Backbone interact. energy: -0.121 local terms energy: -49.020134 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -8.952 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -12.008 tors. eta vs tors. theta energy: 1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -84.349096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.349096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.349096 (E_RNA) where: Base-Base interactions energy: -38.258 where: short stacking energy: -33.356 Base-Backbone interact. energy: -0.030 local terms energy: -46.061100 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -9.831 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -77.847526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.847526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.847526 (E_RNA) where: Base-Base interactions energy: -36.717 where: short stacking energy: -25.636 Base-Backbone interact. energy: 0.393 local terms energy: -41.523549 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -6.446 flat angles C4'-P-C4' energy: -8.555 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: 0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -76.353117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.353117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.353117 (E_RNA) where: Base-Base interactions energy: -34.491 where: short stacking energy: -33.955 Base-Backbone interact. energy: -0.269 local terms energy: -41.593256 where: bonds (distance) C4'-P energy: -9.816 bonds (distance) P-C4' energy: -10.091 flat angles C4'-P-C4' energy: -8.993 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -76.389921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.389921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.389921 (E_RNA) where: Base-Base interactions energy: -27.397 where: short stacking energy: -27.397 Base-Backbone interact. energy: -0.290 local terms energy: -48.703762 where: bonds (distance) C4'-P energy: -7.326 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -214.510408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.510408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.510408 (E_RNA) where: Base-Base interactions energy: -142.023 where: short stacking energy: -66.887 Base-Backbone interact. energy: -1.065 local terms energy: -71.422360 where: bonds (distance) C4'-P energy: -14.987 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -16.191 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -18.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -212.353749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.353749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.353749 (E_RNA) where: Base-Base interactions energy: -154.449 where: short stacking energy: -67.673 Base-Backbone interact. energy: 0.148 local terms energy: -58.052028 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -11.061 flat angles C4'-P-C4' energy: -14.588 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -14.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -202.627293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.627293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.627293 (E_RNA) where: Base-Base interactions energy: -134.469 where: short stacking energy: -61.857 Base-Backbone interact. energy: -0.095 local terms energy: -68.063864 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -12.369 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -11.922 tors. eta vs tors. theta energy: -17.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -172.880175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.880175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.880175 (E_RNA) where: Base-Base interactions energy: -108.663 where: short stacking energy: -51.990 Base-Backbone interact. energy: -0.043 local terms energy: -64.174933 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -12.702 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -15.709 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: 7 Temperature: 1.100000 Total energy: -92.350799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.350799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.350799 (E_RNA) where: Base-Base interactions energy: -40.783 where: short stacking energy: -39.286 Base-Backbone interact. energy: -0.112 local terms energy: -51.456516 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -7.491 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: 2 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -122.573314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.573314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.573314 (E_RNA) where: Base-Base interactions energy: -76.461 where: short stacking energy: -27.659 Base-Backbone interact. energy: 0.813 local terms energy: -46.925884 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -0.785 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: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -91.972608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.972608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.972608 (E_RNA) where: Base-Base interactions energy: -38.496 where: short stacking energy: -38.496 Base-Backbone interact. energy: -0.095 local terms energy: -53.381496 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -9.826 flat angles P-C4'-P energy: -7.848 tors. eta vs tors. theta energy: -9.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -77.262263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.262263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.262263 (E_RNA) where: Base-Base interactions energy: -29.263 where: short stacking energy: -27.625 Base-Backbone interact. energy: -0.057 local terms energy: -47.942492 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -16.232 flat angles C4'-P-C4' energy: -10.058 flat angles P-C4'-P energy: -7.154 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -78.431885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.431885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.431885 (E_RNA) where: Base-Base interactions energy: -34.452 where: short stacking energy: -33.840 Base-Backbone interact. energy: -0.074 local terms energy: -43.905191 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -11.692 tors. eta vs tors. theta energy: -6.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -63.696865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.696865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.696865 (E_RNA) where: Base-Base interactions energy: -23.552 where: short stacking energy: -6.934 Base-Backbone interact. energy: -0.539 local terms energy: -39.605368 where: bonds (distance) C4'-P energy: -10.558 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: 3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -209.683915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.683915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.683915 (E_RNA) where: Base-Base interactions energy: -139.430 where: short stacking energy: -62.987 Base-Backbone interact. energy: -0.003 local terms energy: -70.250653 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -16.615 flat angles P-C4'-P energy: -11.699 tors. eta vs tors. theta energy: -17.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -212.577770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.577770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.577770 (E_RNA) where: Base-Base interactions energy: -140.795 where: short stacking energy: -60.879 Base-Backbone interact. energy: -0.497 local terms energy: -71.286265 where: bonds (distance) C4'-P energy: -15.881 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -15.776 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -14.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -165.474691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.474691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.474691 (E_RNA) where: Base-Base interactions energy: -105.352 where: short stacking energy: -56.138 Base-Backbone interact. energy: -0.205 local terms energy: -59.916895 where: bonds (distance) C4'-P energy: -14.240 bonds (distance) P-C4' energy: -9.884 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -12.128 tors. eta vs tors. theta energy: -11.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -209.629675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.629675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.629675 (E_RNA) where: Base-Base interactions energy: -138.300 where: short stacking energy: -66.986 Base-Backbone interact. energy: -0.009 local terms energy: -71.320651 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -14.179 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: -16.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -133.384995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.384995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.384995 (E_RNA) where: Base-Base interactions energy: -82.079 where: short stacking energy: -42.026 Base-Backbone interact. energy: -0.230 local terms energy: -51.076192 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -7.277 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: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -79.629889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.629889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.629889 (E_RNA) where: Base-Base interactions energy: -30.344 where: short stacking energy: -28.150 Base-Backbone interact. energy: -0.047 local terms energy: -49.238443 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -11.759 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -11.562 tors. eta vs tors. theta energy: -5.219 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: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -87.535477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.535477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.535477 (E_RNA) where: Base-Base interactions energy: -40.755 where: short stacking energy: -34.709 Base-Backbone interact. energy: -0.264 local terms energy: -46.516645 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -80.898163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.898163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.898163 (E_RNA) where: Base-Base interactions energy: -34.404 where: short stacking energy: -34.404 Base-Backbone interact. energy: 0.221 local terms energy: -46.714879 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -11.751 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -86.454455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.454455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.454455 (E_RNA) where: Base-Base interactions energy: -45.278 where: short stacking energy: -34.040 Base-Backbone interact. energy: 0.091 local terms energy: -41.267391 where: bonds (distance) C4'-P energy: -10.149 bonds (distance) P-C4' energy: -5.377 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -79.058170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.058170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.058170 (E_RNA) where: Base-Base interactions energy: -31.284 where: short stacking energy: -31.284 Base-Backbone interact. energy: -0.382 local terms energy: -47.391892 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -9.293 flat angles P-C4'-P energy: -8.049 tors. eta vs tors. theta energy: -4.605 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: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -211.515106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.515106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.515106 (E_RNA) where: Base-Base interactions energy: -140.609 where: short stacking energy: -63.539 Base-Backbone interact. energy: -0.005 local terms energy: -70.901455 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -16.097 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -19.512 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -214.957775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.957775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.957775 (E_RNA) where: Base-Base interactions energy: -143.433 where: short stacking energy: -60.525 Base-Backbone interact. energy: -1.495 local terms energy: -70.029654 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -13.884 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -18.431 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: 3, replica: 9 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -196.720423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.720423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.720423 (E_RNA) where: Base-Base interactions energy: -129.404 where: short stacking energy: -56.927 Base-Backbone interact. energy: -0.648 local terms energy: -66.668301 where: bonds (distance) C4'-P energy: -13.175 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -14.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -201.534458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.534458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.534458 (E_RNA) where: Base-Base interactions energy: -136.650 where: short stacking energy: -56.220 Base-Backbone interact. energy: -0.165 local terms energy: -64.719413 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -12.580 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -12.728 tors. eta vs tors. theta energy: -15.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -119.926054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.926054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.926054 (E_RNA) where: Base-Base interactions energy: -69.615 where: short stacking energy: -45.713 Base-Backbone interact. energy: -0.034 local terms energy: -50.277098 where: bonds (distance) C4'-P energy: -9.654 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -15.462 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -92.288757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.288757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.288757 (E_RNA) where: Base-Base interactions energy: -42.998 where: short stacking energy: -39.054 Base-Backbone interact. energy: -0.001 local terms energy: -49.290194 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -5.191 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -8.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -92.998134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.998134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.998134 (E_RNA) where: Base-Base interactions energy: -39.899 where: short stacking energy: -39.484 Base-Backbone interact. energy: -0.101 local terms energy: -52.998891 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -9.672 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: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -80.085468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.085468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.085468 (E_RNA) where: Base-Base interactions energy: -31.176 where: short stacking energy: -25.961 Base-Backbone interact. energy: -0.448 local terms energy: -48.461602 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -8.040 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -78.601110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.601110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.601110 (E_RNA) where: Base-Base interactions energy: -33.081 where: short stacking energy: -31.519 Base-Backbone interact. energy: 1.259 local terms energy: -46.778682 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -11.265 flat angles C4'-P-C4' energy: -10.671 flat angles P-C4'-P energy: -9.031 tors. eta vs tors. theta energy: -9.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -67.699260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.699260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.699260 (E_RNA) where: Base-Base interactions energy: -27.059 where: short stacking energy: -25.226 Base-Backbone interact. energy: -0.221 local terms energy: -40.418937 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -1.530 tors. eta vs tors. theta energy: 1.079 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: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -219.843333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.843333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.843333 (E_RNA) where: Base-Base interactions energy: -149.045 where: short stacking energy: -67.402 Base-Backbone interact. energy: -0.060 local terms energy: -70.738710 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -19.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -211.540591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.540591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.540591 (E_RNA) where: Base-Base interactions energy: -143.437 where: short stacking energy: -68.795 Base-Backbone interact. energy: -0.027 local terms energy: -68.076587 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -19.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -206.909152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.909152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.909152 (E_RNA) where: Base-Base interactions energy: -139.038 where: short stacking energy: -60.820 Base-Backbone interact. energy: -0.100 local terms energy: -67.770948 where: bonds (distance) C4'-P energy: -14.217 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -15.199 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -17.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -202.155013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.155013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.155013 (E_RNA) where: Base-Base interactions energy: -138.214 where: short stacking energy: -64.884 Base-Backbone interact. energy: 0.274 local terms energy: -64.215070 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -14.760 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -16.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -101.283954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.283954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.283954 (E_RNA) where: Base-Base interactions energy: -47.303 where: short stacking energy: -44.772 Base-Backbone interact. energy: -0.001 local terms energy: -53.979793 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -9.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -127.266425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.266425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.266425 (E_RNA) where: Base-Base interactions energy: -71.838 where: short stacking energy: -42.568 Base-Backbone interact. energy: -0.070 local terms energy: -55.359242 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -9.939 flat angles P-C4'-P energy: -9.855 tors. eta vs tors. theta energy: -10.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -84.490761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.490761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.490761 (E_RNA) where: Base-Base interactions energy: -41.944 where: short stacking energy: -33.737 Base-Backbone interact. energy: -0.044 local terms energy: -42.502461 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -14.609 flat angles C4'-P-C4' energy: -8.875 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -0.160 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: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -75.927494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.927494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.927494 (E_RNA) where: Base-Base interactions energy: -37.782 where: short stacking energy: -24.293 Base-Backbone interact. energy: -0.036 local terms energy: -38.110181 where: bonds (distance) C4'-P energy: -8.340 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -79.369079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.369079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.369079 (E_RNA) where: Base-Base interactions energy: -27.524 where: short stacking energy: -27.524 Base-Backbone interact. energy: -0.001 local terms energy: -51.843350 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -14.131 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -5.299 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: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -75.207938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.207938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.207938 (E_RNA) where: Base-Base interactions energy: -31.785 where: short stacking energy: -31.785 Base-Backbone interact. energy: -0.120 local terms energy: -43.302385 where: bonds (distance) C4'-P energy: -1.950 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -7.009 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: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -214.392881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.392881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.392881 (E_RNA) where: Base-Base interactions energy: -142.784 where: short stacking energy: -61.144 Base-Backbone interact. energy: -0.089 local terms energy: -71.520642 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -11.122 tors. eta vs tors. theta energy: -18.369 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: 11 Temperature: 0.950000 Total energy: -211.330349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.330349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.330349 (E_RNA) where: Base-Base interactions energy: -138.870 where: short stacking energy: -64.536 Base-Backbone interact. energy: -0.654 local terms energy: -71.806528 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -16.658 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -19.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -207.622452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.622452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.622452 (E_RNA) where: Base-Base interactions energy: -140.297 where: short stacking energy: -67.430 Base-Backbone interact. energy: -0.007 local terms energy: -67.317667 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -11.117 flat angles P-C4'-P energy: -9.832 tors. eta vs tors. theta energy: -20.583 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: 9 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -198.618174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.618174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.618174 (E_RNA) where: Base-Base interactions energy: -130.298 where: short stacking energy: -61.892 Base-Backbone interact. energy: -0.320 local terms energy: -67.999652 where: bonds (distance) C4'-P energy: -10.702 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -19.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -103.768611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.768611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.768611 (E_RNA) where: Base-Base interactions energy: -43.692 where: short stacking energy: -43.692 Base-Backbone interact. energy: -0.021 local terms energy: -60.054956 where: bonds (distance) C4'-P energy: -13.882 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -9.023 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: 2 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -130.716815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.716815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.716815 (E_RNA) where: Base-Base interactions energy: -78.924 where: short stacking energy: -38.981 Base-Backbone interact. energy: -0.095 local terms energy: -51.697339 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -15.453 flat angles C4'-P-C4' energy: -10.523 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -87.524605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.524605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.524605 (E_RNA) where: Base-Base interactions energy: -45.167 where: short stacking energy: -33.028 Base-Backbone interact. energy: 0.215 local terms energy: -42.573143 where: bonds (distance) C4'-P energy: -9.527 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -11.022 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -91.106213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.106213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.106213 (E_RNA) where: Base-Base interactions energy: -44.843 where: short stacking energy: -32.616 Base-Backbone interact. energy: -0.045 local terms energy: -46.218016 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -10.573 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -5.210 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: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -76.951577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.951577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.951577 (E_RNA) where: Base-Base interactions energy: -27.996 where: short stacking energy: -27.996 Base-Backbone interact. energy: -0.070 local terms energy: -48.885321 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -7.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -75.109727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.109727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.109727 (E_RNA) where: Base-Base interactions energy: -21.856 where: short stacking energy: -22.656 Base-Backbone interact. energy: -0.325 local terms energy: -52.929562 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -11.902 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -209.927993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.927993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.927993 (E_RNA) where: Base-Base interactions energy: -141.826 where: short stacking energy: -64.272 Base-Backbone interact. energy: -0.004 local terms energy: -68.097315 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -12.816 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -17.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -216.477065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.477065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.477065 (E_RNA) where: Base-Base interactions energy: -146.230 where: short stacking energy: -59.288 Base-Backbone interact. energy: -0.572 local terms energy: -69.674634 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -17.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -203.923201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.923201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.923201 (E_RNA) where: Base-Base interactions energy: -140.212 where: short stacking energy: -65.861 Base-Backbone interact. energy: -0.882 local terms energy: -62.828864 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -11.243 flat angles C4'-P-C4' energy: -12.212 flat angles P-C4'-P energy: -10.615 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: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -199.633703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.633703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.633703 (E_RNA) where: Base-Base interactions energy: -130.607 where: short stacking energy: -60.737 Base-Backbone interact. energy: -0.085 local terms energy: -68.942511 where: bonds (distance) C4'-P energy: -15.545 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -17.264 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: 12 Temperature: 1.100000 Total energy: -153.176633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.176633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.176633 (E_RNA) where: Base-Base interactions energy: -93.485 where: short stacking energy: -36.094 Base-Backbone interact. energy: -0.324 local terms energy: -59.367667 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -16.053 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -7.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -87.010442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.010442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.010442 (E_RNA) where: Base-Base interactions energy: -36.856 where: short stacking energy: -36.856 Base-Backbone interact. energy: 1.036 local terms energy: -51.190630 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -10.316 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -6.445 tors. eta vs tors. theta energy: -7.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -79.432983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.432983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.432983 (E_RNA) where: Base-Base interactions energy: -26.421 where: short stacking energy: -26.421 Base-Backbone interact. energy: -0.130 local terms energy: -52.881987 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -13.769 flat angles C4'-P-C4' energy: -13.966 flat angles P-C4'-P energy: -12.259 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -72.389730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.389730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.389730 (E_RNA) where: Base-Base interactions energy: -34.412 where: short stacking energy: -14.975 Base-Backbone interact. energy: -0.379 local terms energy: -37.598710 where: bonds (distance) C4'-P energy: -10.172 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -0.955 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: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -80.012682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.012682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.012682 (E_RNA) where: Base-Base interactions energy: -36.803 where: short stacking energy: -25.402 Base-Backbone interact. energy: -0.076 local terms energy: -43.133500 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -9.257 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -8.527 tors. eta vs tors. theta energy: -6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -71.740250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.740250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.740250 (E_RNA) where: Base-Base interactions energy: -20.928 where: short stacking energy: -20.928 Base-Backbone interact. energy: -0.844 local terms energy: -49.968013 where: bonds (distance) C4'-P energy: -7.689 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -210.012023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.012023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.012023 (E_RNA) where: Base-Base interactions energy: -137.339 where: short stacking energy: -64.139 Base-Backbone interact. energy: -0.058 local terms energy: -72.614385 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -19.899 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: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -222.790401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.790401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.790401 (E_RNA) where: Base-Base interactions energy: -151.336 where: short stacking energy: -70.621 Base-Backbone interact. energy: -0.419 local terms energy: -71.035558 where: bonds (distance) C4'-P energy: -14.274 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -10.764 tors. eta vs tors. theta energy: -18.812 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: 9 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -204.278414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.278414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.278414 (E_RNA) where: Base-Base interactions energy: -134.184 where: short stacking energy: -60.387 Base-Backbone interact. energy: -0.042 local terms energy: -70.053012 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -17.599 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -14.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -198.065542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.065542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.065542 (E_RNA) where: Base-Base interactions energy: -130.795 where: short stacking energy: -57.087 Base-Backbone interact. energy: -0.061 local terms energy: -67.209273 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -9.670 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: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -181.969764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.969764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.969764 (E_RNA) where: Base-Base interactions energy: -128.309 where: short stacking energy: -52.466 Base-Backbone interact. energy: -0.360 local terms energy: -53.300402 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -9.102 flat angles P-C4'-P energy: -9.059 tors. eta vs tors. theta energy: -12.348 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: 13 Temperature: 1.150000 Total energy: -91.158545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.158545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.158545 (E_RNA) where: Base-Base interactions energy: -38.370 where: short stacking energy: -38.370 Base-Backbone interact. energy: -0.051 local terms energy: -52.737029 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -10.690 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -8.822 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: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -81.086492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.086492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.086492 (E_RNA) where: Base-Base interactions energy: -30.168 where: short stacking energy: -30.168 Base-Backbone interact. energy: 0.232 local terms energy: -51.149916 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -12.836 flat angles C4'-P-C4' energy: -13.062 flat angles P-C4'-P energy: -10.092 tors. eta vs tors. theta energy: -2.715 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: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -97.826078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.826078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.826078 (E_RNA) where: Base-Base interactions energy: -50.673 where: short stacking energy: -27.393 Base-Backbone interact. energy: -0.099 local terms energy: -47.053617 where: bonds (distance) C4'-P energy: -14.632 bonds (distance) P-C4' energy: -10.372 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -83.468441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.468441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.468441 (E_RNA) where: Base-Base interactions energy: -32.830 where: short stacking energy: -29.926 Base-Backbone interact. energy: -0.013 local terms energy: -50.625397 where: bonds (distance) C4'-P energy: -10.376 bonds (distance) P-C4' energy: -10.056 flat angles C4'-P-C4' energy: -12.941 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -7.807 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -75.272103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.272103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.272103 (E_RNA) where: Base-Base interactions energy: -34.937 where: short stacking energy: -24.344 Base-Backbone interact. energy: -0.006 local terms energy: -40.329120 where: bonds (distance) C4'-P energy: -10.504 bonds (distance) P-C4' energy: -9.870 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: 1.310 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: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -218.201933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.201933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.201933 (E_RNA) where: Base-Base interactions energy: -145.333 where: short stacking energy: -63.415 Base-Backbone interact. energy: -0.569 local terms energy: -72.299750 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -10.569 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: 2, replica: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -213.986949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.986949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.986949 (E_RNA) where: Base-Base interactions energy: -137.782 where: short stacking energy: -66.225 Base-Backbone interact. energy: -0.005 local terms energy: -76.199109 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -18.892 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -200.291362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.291362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.291362 (E_RNA) where: Base-Base interactions energy: -130.887 where: short stacking energy: -64.026 Base-Backbone interact. energy: -0.039 local terms energy: -69.364796 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -11.421 flat angles C4'-P-C4' energy: -15.819 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -16.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -206.932220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.932220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.932220 (E_RNA) where: Base-Base interactions energy: -139.694 where: short stacking energy: -66.618 Base-Backbone interact. energy: -0.296 local terms energy: -66.942084 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -18.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -183.059305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.059305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.059305 (E_RNA) where: Base-Base interactions energy: -126.388 where: short stacking energy: -52.408 Base-Backbone interact. energy: -0.348 local terms energy: -56.323372 where: bonds (distance) C4'-P energy: -10.350 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -93.213025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.213025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.213025 (E_RNA) where: Base-Base interactions energy: -49.606 where: short stacking energy: -35.518 Base-Backbone interact. energy: -0.099 local terms energy: -43.508037 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -9.361 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -85.702539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.702539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.702539 (E_RNA) where: Base-Base interactions energy: -33.573 where: short stacking energy: -33.573 Base-Backbone interact. energy: -0.398 local terms energy: -51.731340 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -9.151 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: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -86.457893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.457893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.457893 (E_RNA) where: Base-Base interactions energy: -39.296 where: short stacking energy: -39.296 Base-Backbone interact. energy: 0.569 local terms energy: -47.730832 where: bonds (distance) C4'-P energy: -12.689 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: 0.825 tors. eta vs tors. theta energy: -8.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -74.710118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.710118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.710118 (E_RNA) where: Base-Base interactions energy: -29.721 where: short stacking energy: -29.721 Base-Backbone interact. energy: -0.034 local terms energy: -44.955486 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -9.221 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -0.852 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: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -71.397374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.397374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.397374 (E_RNA) where: Base-Base interactions energy: -25.040 where: short stacking energy: -25.040 Base-Backbone interact. energy: -0.073 local terms energy: -46.284340 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -10.782 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -224.023849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.023849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.023849 (E_RNA) where: Base-Base interactions energy: -147.779 where: short stacking energy: -65.558 Base-Backbone interact. energy: -0.486 local terms energy: -75.758413 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -20.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -209.357738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.357738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.357738 (E_RNA) where: Base-Base interactions energy: -137.304 where: short stacking energy: -60.477 Base-Backbone interact. energy: -0.014 local terms energy: -72.039551 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -16.954 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: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -204.772711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.772711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.772711 (E_RNA) where: Base-Base interactions energy: -135.259 where: short stacking energy: -62.761 Base-Backbone interact. energy: 1.153 local terms energy: -70.666421 where: bonds (distance) C4'-P energy: -15.083 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -17.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -210.232908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.232908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.232908 (E_RNA) where: Base-Base interactions energy: -139.591 where: short stacking energy: -61.930 Base-Backbone interact. energy: -0.060 local terms energy: -70.582521 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -13.982 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -18.548 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: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -198.540501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.540501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.540501 (E_RNA) where: Base-Base interactions energy: -141.289 where: short stacking energy: -55.298 Base-Backbone interact. energy: -0.274 local terms energy: -56.977274 where: bonds (distance) C4'-P energy: -9.834 bonds (distance) P-C4' energy: -14.648 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -11.004 tors. eta vs tors. theta energy: -10.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -97.342264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.342264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.342264 (E_RNA) where: Base-Base interactions energy: -42.605 where: short stacking energy: -42.605 Base-Backbone interact. energy: -0.288 local terms energy: -54.448479 where: bonds (distance) C4'-P energy: -10.377 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -9.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -82.928064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.928064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.928064 (E_RNA) where: Base-Base interactions energy: -39.387 where: short stacking energy: -33.374 Base-Backbone interact. energy: -0.091 local terms energy: -43.449535 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -4.662 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: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -83.017285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.017285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.017285 (E_RNA) where: Base-Base interactions energy: -36.245 where: short stacking energy: -36.245 Base-Backbone interact. energy: -0.022 local terms energy: -46.749703 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -9.022 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -7.271 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: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -82.494522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.494522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.494522 (E_RNA) where: Base-Base interactions energy: -39.949 where: short stacking energy: -39.659 Base-Backbone interact. energy: 0.920 local terms energy: -43.465571 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -10.301 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -79.418293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.418293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.418293 (E_RNA) where: Base-Base interactions energy: -26.506 where: short stacking energy: -24.056 Base-Backbone interact. energy: 0.101 local terms energy: -53.013175 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -0.970 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: 16 Temperature: 0.900000 Total energy: -209.495420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.495420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.495420 (E_RNA) where: Base-Base interactions energy: -136.853 where: short stacking energy: -67.857 Base-Backbone interact. energy: 0.002 local terms energy: -72.645159 where: bonds (distance) C4'-P energy: -16.250 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -19.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -212.708730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.708730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.708730 (E_RNA) where: Base-Base interactions energy: -144.289 where: short stacking energy: -62.813 Base-Backbone interact. energy: -0.764 local terms energy: -67.656311 where: bonds (distance) C4'-P energy: -11.658 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -14.532 flat angles P-C4'-P energy: -10.395 tors. eta vs tors. theta energy: -18.181 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: 9 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -206.821715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.821715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.821715 (E_RNA) where: Base-Base interactions energy: -137.156 where: short stacking energy: -59.215 Base-Backbone interact. energy: -0.026 local terms energy: -69.639828 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: -16.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -205.042997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.042997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.042997 (E_RNA) where: Base-Base interactions energy: -140.164 where: short stacking energy: -66.284 Base-Backbone interact. energy: -0.096 local terms energy: -64.783607 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -14.366 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -17.841 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: 16 Temperature: 1.100000 Total energy: -200.673067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.673067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.673067 (E_RNA) where: Base-Base interactions energy: -137.321 where: short stacking energy: -54.320 Base-Backbone interact. energy: -0.078 local terms energy: -63.273770 where: bonds (distance) C4'-P energy: -10.093 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -12.094 tors. eta vs tors. theta energy: -12.631 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: 8 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -93.648233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.648233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.648233 (E_RNA) where: Base-Base interactions energy: -33.931 where: short stacking energy: -33.931 Base-Backbone interact. energy: -0.059 local terms energy: -59.658547 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -11.265 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -133.442184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.442184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.442184 (E_RNA) where: Base-Base interactions energy: -81.912 where: short stacking energy: -40.073 Base-Backbone interact. energy: 0.248 local terms energy: -51.778660 where: bonds (distance) C4'-P energy: -8.508 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -7.349 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: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -79.195596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.195596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.195596 (E_RNA) where: Base-Base interactions energy: -36.628 where: short stacking energy: -29.882 Base-Backbone interact. energy: -0.045 local terms energy: -42.522677 where: bonds (distance) C4'-P energy: -11.870 bonds (distance) P-C4' energy: -16.211 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -77.848664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.848664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.848664 (E_RNA) where: Base-Base interactions energy: -36.756 where: short stacking energy: -31.827 Base-Backbone interact. energy: -0.120 local terms energy: -40.973223 where: bonds (distance) C4'-P energy: -9.739 bonds (distance) P-C4' energy: -11.420 flat angles C4'-P-C4' energy: -9.185 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -83.127977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.127977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.127977 (E_RNA) where: Base-Base interactions energy: -38.214 where: short stacking energy: -26.196 Base-Backbone interact. energy: 1.716 local terms energy: -46.629822 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -213.285669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.285669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.285669 (E_RNA) where: Base-Base interactions energy: -140.595 where: short stacking energy: -66.972 Base-Backbone interact. energy: -0.130 local terms energy: -72.561285 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -15.725 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -18.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -209.777181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.777181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.777181 (E_RNA) where: Base-Base interactions energy: -138.559 where: short stacking energy: -65.296 Base-Backbone interact. energy: -0.088 local terms energy: -71.130272 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -11.764 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -13.185 tors. eta vs tors. theta energy: -17.630 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: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -212.706934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.706934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.706934 (E_RNA) where: Base-Base interactions energy: -145.268 where: short stacking energy: -63.314 Base-Backbone interact. energy: -0.096 local terms energy: -67.343488 where: bonds (distance) C4'-P energy: -14.491 bonds (distance) P-C4' energy: -12.685 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -19.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -200.336376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.336376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.336376 (E_RNA) where: Base-Base interactions energy: -128.402 where: short stacking energy: -63.766 Base-Backbone interact. energy: -0.002 local terms energy: -71.931516 where: bonds (distance) C4'-P energy: -13.841 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -16.600 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -192.662468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.662468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.662468 (E_RNA) where: Base-Base interactions energy: -139.100 where: short stacking energy: -52.941 Base-Backbone interact. energy: -0.078 local terms energy: -53.484072 where: bonds (distance) C4'-P energy: -9.285 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -9.453 tors. eta vs tors. theta energy: -9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -171.701352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.701352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.701352 (E_RNA) where: Base-Base interactions energy: -119.213 where: short stacking energy: -43.486 Base-Backbone interact. energy: -0.195 local terms energy: -52.292782 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -9.205 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: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -86.639093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.639093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.639093 (E_RNA) where: Base-Base interactions energy: -37.447 where: short stacking energy: -25.984 Base-Backbone interact. energy: -0.309 local terms energy: -48.883128 where: bonds (distance) C4'-P energy: -10.039 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -85.516360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.516360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.516360 (E_RNA) where: Base-Base interactions energy: -43.632 where: short stacking energy: -34.940 Base-Backbone interact. energy: -0.106 local terms energy: -41.778410 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -10.860 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -7.820 tors. eta vs tors. theta energy: -3.262 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: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -76.760617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.760617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.760617 (E_RNA) where: Base-Base interactions energy: -26.528 where: short stacking energy: -25.505 Base-Backbone interact. energy: -0.602 local terms energy: -49.630781 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -6.712 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: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -73.466352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.466352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.466352 (E_RNA) where: Base-Base interactions energy: -38.461 where: short stacking energy: -35.123 Base-Backbone interact. energy: 3.310 local terms energy: -38.315414 where: bonds (distance) C4'-P energy: -7.911 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -7.538 tors. eta vs tors. theta energy: 0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -211.667925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.667925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.667925 (E_RNA) where: Base-Base interactions energy: -136.259 where: short stacking energy: -59.993 Base-Backbone interact. energy: -0.002 local terms energy: -75.406492 where: bonds (distance) C4'-P energy: -13.641 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -11.315 tors. eta vs tors. theta energy: -19.135 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: 18 Temperature: 0.950000 Total energy: -206.666027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.666027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.666027 (E_RNA) where: Base-Base interactions energy: -134.027 where: short stacking energy: -60.535 Base-Backbone interact. energy: 0.595 local terms energy: -73.233730 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -11.687 flat angles C4'-P-C4' energy: -16.552 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -19.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -210.632964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.632964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.632964 (E_RNA) where: Base-Base interactions energy: -139.565 where: short stacking energy: -66.702 Base-Backbone interact. energy: -0.003 local terms energy: -71.064627 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -13.112 tors. eta vs tors. theta energy: -17.018 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: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -214.963479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.963479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.963479 (E_RNA) where: Base-Base interactions energy: -145.889 where: short stacking energy: -62.846 Base-Backbone interact. energy: -0.208 local terms energy: -68.866119 where: bonds (distance) C4'-P energy: -12.136 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -11.536 tors. eta vs tors. theta energy: -17.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -195.369851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.369851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.369851 (E_RNA) where: Base-Base interactions energy: -138.721 where: short stacking energy: -49.141 Base-Backbone interact. energy: -0.178 local terms energy: -56.471449 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -6.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -202.910796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.910796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.910796 (E_RNA) where: Base-Base interactions energy: -136.423 where: short stacking energy: -54.458 Base-Backbone interact. energy: -0.423 local terms energy: -66.064419 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -16.708 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: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -83.745850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.745850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.745850 (E_RNA) where: Base-Base interactions energy: -35.361 where: short stacking energy: -24.226 Base-Backbone interact. energy: -0.270 local terms energy: -48.115229 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -12.950 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: 2.087 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: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -88.764591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.764591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.764591 (E_RNA) where: Base-Base interactions energy: -43.858 where: short stacking energy: -18.177 Base-Backbone interact. energy: -0.292 local terms energy: -44.613661 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -11.128 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -81.167443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.167443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.167443 (E_RNA) where: Base-Base interactions energy: -27.617 where: short stacking energy: -26.801 Base-Backbone interact. energy: -0.051 local terms energy: -53.499105 where: bonds (distance) C4'-P energy: -9.303 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -12.490 tors. eta vs tors. theta energy: -7.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -91.232527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.232527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.232527 (E_RNA) where: Base-Base interactions energy: -42.118 where: short stacking energy: -22.979 Base-Backbone interact. energy: -0.180 local terms energy: -48.934030 where: bonds (distance) C4'-P energy: -9.956 bonds (distance) P-C4' energy: -12.153 flat angles C4'-P-C4' energy: -9.842 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -215.588989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.588989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.588989 (E_RNA) where: Base-Base interactions energy: -140.454 where: short stacking energy: -67.431 Base-Backbone interact. energy: -0.256 local terms energy: -74.878479 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -20.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -209.608432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.608432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.608432 (E_RNA) where: Base-Base interactions energy: -138.278 where: short stacking energy: -63.062 Base-Backbone interact. energy: 1.188 local terms energy: -72.518370 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -12.813 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -19.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -206.283326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.283326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.283326 (E_RNA) where: Base-Base interactions energy: -134.697 where: short stacking energy: -58.442 Base-Backbone interact. energy: -0.830 local terms energy: -70.756529 where: bonds (distance) C4'-P energy: -14.146 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -14.452 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -18.797 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: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -205.812573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.812573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.812573 (E_RNA) where: Base-Base interactions energy: -139.361 where: short stacking energy: -55.600 Base-Backbone interact. energy: -0.332 local terms energy: -66.119933 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -8.264 tors. eta vs tors. theta energy: -16.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -205.832785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.832785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.832785 (E_RNA) where: Base-Base interactions energy: -145.277 where: short stacking energy: -59.652 Base-Backbone interact. energy: -0.090 local terms energy: -60.466006 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -14.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -208.795206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.795206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.795206 (E_RNA) where: Base-Base interactions energy: -138.868 where: short stacking energy: -57.410 Base-Backbone interact. energy: -0.191 local terms energy: -69.736551 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -15.456 flat angles P-C4'-P energy: -13.313 tors. eta vs tors. theta energy: -14.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -97.890777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.890777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.890777 (E_RNA) where: Base-Base interactions energy: -50.623 where: short stacking energy: -30.270 Base-Backbone interact. energy: 4.451 local terms energy: -51.718540 where: bonds (distance) C4'-P energy: -14.793 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -6.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -101.580865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.580865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.580865 (E_RNA) where: Base-Base interactions energy: -49.998 where: short stacking energy: -43.733 Base-Backbone interact. energy: -0.125 local terms energy: -51.457246 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -8.551 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: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -80.090445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.090445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.090445 (E_RNA) where: Base-Base interactions energy: -41.850 where: short stacking energy: -23.863 Base-Backbone interact. energy: -0.472 local terms energy: -37.768132 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -8.073 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -98.086753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.086753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.086753 (E_RNA) where: Base-Base interactions energy: -57.507 where: short stacking energy: -30.268 Base-Backbone interact. energy: -0.242 local terms energy: -40.338033 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -10.494 flat angles C4'-P-C4' energy: -13.009 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -2.659 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: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -215.172427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.172427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.172427 (E_RNA) where: Base-Base interactions energy: -140.942 where: short stacking energy: -66.289 Base-Backbone interact. energy: -0.001 local terms energy: -74.229150 where: bonds (distance) C4'-P energy: -15.422 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -11.434 tors. eta vs tors. theta energy: -17.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -206.849944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.849944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.849944 (E_RNA) where: Base-Base interactions energy: -136.101 where: short stacking energy: -60.767 Base-Backbone interact. energy: -0.830 local terms energy: -69.918859 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -10.292 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: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -217.860392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.860392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.860392 (E_RNA) where: Base-Base interactions energy: -144.695 where: short stacking energy: -66.062 Base-Backbone interact. energy: -0.744 local terms energy: -72.421392 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -16.079 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -18.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -205.069307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.069307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.069307 (E_RNA) where: Base-Base interactions energy: -134.061 where: short stacking energy: -63.738 Base-Backbone interact. energy: 0.354 local terms energy: -71.363149 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -14.849 flat angles P-C4'-P energy: -12.241 tors. eta vs tors. theta energy: -17.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -208.000917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.000917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.000917 (E_RNA) where: Base-Base interactions energy: -141.903 where: short stacking energy: -58.741 Base-Backbone interact. energy: -0.139 local terms energy: -65.959325 where: bonds (distance) C4'-P energy: -15.194 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -8.349 tors. eta vs tors. theta energy: -16.458 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: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -203.123798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.123798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.123798 (E_RNA) where: Base-Base interactions energy: -145.158 where: short stacking energy: -61.713 Base-Backbone interact. energy: -0.106 local terms energy: -57.859596 where: bonds (distance) C4'-P energy: -11.770 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -13.355 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -10.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -114.895756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.895756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.895756 (E_RNA) where: Base-Base interactions energy: -62.372 where: short stacking energy: -35.618 Base-Backbone interact. energy: 0.377 local terms energy: -52.900944 where: bonds (distance) C4'-P energy: -10.843 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -74.217712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.217712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.217712 (E_RNA) where: Base-Base interactions energy: -30.651 where: short stacking energy: -27.519 Base-Backbone interact. energy: -2.011 local terms energy: -41.556081 where: bonds (distance) C4'-P energy: -10.706 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -89.871351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.871351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.871351 (E_RNA) where: Base-Base interactions energy: -40.437 where: short stacking energy: -36.998 Base-Backbone interact. energy: -0.386 local terms energy: -49.047943 where: bonds (distance) C4'-P energy: -10.673 bonds (distance) P-C4' energy: -11.445 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -6.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -66.697323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.697323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.697323 (E_RNA) where: Base-Base interactions energy: -32.411 where: short stacking energy: -24.352 Base-Backbone interact. energy: 1.685 local terms energy: -35.970842 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -8.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -216.315596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.315596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.315596 (E_RNA) where: Base-Base interactions energy: -141.944 where: short stacking energy: -70.024 Base-Backbone interact. energy: -0.002 local terms energy: -74.370249 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -12.770 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: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -216.747464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.747464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.747464 (E_RNA) where: Base-Base interactions energy: -147.699 where: short stacking energy: -63.027 Base-Backbone interact. energy: -0.309 local terms energy: -68.739794 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -19.707 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: 9 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -208.539387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.539387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.539387 (E_RNA) where: Base-Base interactions energy: -136.910 where: short stacking energy: -65.961 Base-Backbone interact. energy: -0.690 local terms energy: -70.938752 where: bonds (distance) C4'-P energy: -12.701 bonds (distance) P-C4' energy: -15.438 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: -18.044 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: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -208.085944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.085944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.085944 (E_RNA) where: Base-Base interactions energy: -140.471 where: short stacking energy: -66.540 Base-Backbone interact. energy: -0.005 local terms energy: -67.610179 where: bonds (distance) C4'-P energy: -12.876 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: -19.299 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: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -208.003646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.003646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.003646 (E_RNA) where: Base-Base interactions energy: -141.725 where: short stacking energy: -60.785 Base-Backbone interact. energy: -0.005 local terms energy: -66.274205 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -8.819 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -12.396 tors. eta vs tors. theta energy: -18.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -194.245045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.245045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.245045 (E_RNA) where: Base-Base interactions energy: -137.340 where: short stacking energy: -53.511 Base-Backbone interact. energy: -0.048 local terms energy: -56.857740 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -12.248 flat angles P-C4'-P energy: -12.784 tors. eta vs tors. theta energy: -11.784 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: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -113.361290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.361290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.361290 (E_RNA) where: Base-Base interactions energy: -59.972 where: short stacking energy: -34.350 Base-Backbone interact. energy: -0.079 local terms energy: -53.310678 where: bonds (distance) C4'-P energy: -14.586 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -83.413612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.413612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.413612 (E_RNA) where: Base-Base interactions energy: -37.991 where: short stacking energy: -35.008 Base-Backbone interact. energy: -0.125 local terms energy: -45.297844 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -84.918181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.918181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.918181 (E_RNA) where: Base-Base interactions energy: -48.024 where: short stacking energy: -21.588 Base-Backbone interact. energy: -0.165 local terms energy: -36.729764 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: 3.518 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: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -72.169450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.169450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.169450 (E_RNA) where: Base-Base interactions energy: -26.079 where: short stacking energy: -25.970 Base-Backbone interact. energy: -0.073 local terms energy: -46.017639 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -7.579 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -219.343697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.343697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.343697 (E_RNA) where: Base-Base interactions energy: -151.292 where: short stacking energy: -66.930 Base-Backbone interact. energy: -1.041 local terms energy: -67.009997 where: bonds (distance) C4'-P energy: -8.237 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -15.103 flat angles P-C4'-P energy: -12.375 tors. eta vs tors. theta energy: -18.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -213.836721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.836721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.836721 (E_RNA) where: Base-Base interactions energy: -141.621 where: short stacking energy: -67.751 Base-Backbone interact. energy: -0.290 local terms energy: -71.925130 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -10.210 tors. eta vs tors. theta energy: -18.910 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: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -209.484166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.484166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.484166 (E_RNA) where: Base-Base interactions energy: -145.469 where: short stacking energy: -69.299 Base-Backbone interact. energy: -0.304 local terms energy: -63.711684 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -13.706 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -18.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -202.274963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.274963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.274963 (E_RNA) where: Base-Base interactions energy: -131.319 where: short stacking energy: -53.357 Base-Backbone interact. energy: -0.005 local terms energy: -70.950703 where: bonds (distance) C4'-P energy: -14.395 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -19.072 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: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -218.245065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.245065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.245065 (E_RNA) where: Base-Base interactions energy: -146.211 where: short stacking energy: -66.003 Base-Backbone interact. energy: -0.100 local terms energy: -71.933841 where: bonds (distance) C4'-P energy: -11.911 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -11.393 tors. eta vs tors. theta energy: -20.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -194.335238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.335238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.335238 (E_RNA) where: Base-Base interactions energy: -134.876 where: short stacking energy: -54.835 Base-Backbone interact. energy: -0.571 local terms energy: -58.888225 where: bonds (distance) C4'-P energy: -9.377 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -11.816 flat angles P-C4'-P energy: -12.596 tors. eta vs tors. theta energy: -13.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -134.606489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.606489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.606489 (E_RNA) where: Base-Base interactions energy: -78.042 where: short stacking energy: -36.506 Base-Backbone interact. energy: -1.023 local terms energy: -55.541024 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -11.273 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -10.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -84.984812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.984812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.984812 (E_RNA) where: Base-Base interactions energy: -24.814 where: short stacking energy: -24.814 Base-Backbone interact. energy: -0.010 local terms energy: -60.161323 where: bonds (distance) C4'-P energy: -16.034 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -6.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -104.084408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.084408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.084408 (E_RNA) where: Base-Base interactions energy: -61.107 where: short stacking energy: -24.019 Base-Backbone interact. energy: -0.096 local terms energy: -42.881636 where: bonds (distance) C4'-P energy: -10.491 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -11.251 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -81.065034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.065034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.065034 (E_RNA) where: Base-Base interactions energy: -27.351 where: short stacking energy: -25.721 Base-Backbone interact. energy: -0.225 local terms energy: -53.489316 where: bonds (distance) C4'-P energy: -15.865 bonds (distance) P-C4' energy: -10.828 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -4.521 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: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -223.581397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.581397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.581397 (E_RNA) where: Base-Base interactions energy: -149.240 where: short stacking energy: -68.554 Base-Backbone interact. energy: -0.039 local terms energy: -74.302666 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -19.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -214.147831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.147831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.147831 (E_RNA) where: Base-Base interactions energy: -141.019 where: short stacking energy: -64.576 Base-Backbone interact. energy: -0.008 local terms energy: -73.120602 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -15.218 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -17.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -211.581686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.581686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.581686 (E_RNA) where: Base-Base interactions energy: -146.037 where: short stacking energy: -68.507 Base-Backbone interact. energy: -0.041 local terms energy: -65.503793 where: bonds (distance) C4'-P energy: -14.754 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -10.552 flat angles P-C4'-P energy: -7.580 tors. eta vs tors. theta energy: -18.169 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: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -209.115703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.115703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.115703 (E_RNA) where: Base-Base interactions energy: -144.346 where: short stacking energy: -62.674 Base-Backbone interact. energy: -0.017 local terms energy: -64.751893 where: bonds (distance) C4'-P energy: -14.523 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -9.427 tors. eta vs tors. theta energy: -15.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -187.559158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.559158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.559158 (E_RNA) where: Base-Base interactions energy: -126.600 where: short stacking energy: -57.080 Base-Backbone interact. energy: -0.066 local terms energy: -60.893911 where: bonds (distance) C4'-P energy: -11.140 bonds (distance) P-C4' energy: -10.367 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -17.021 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: 6, replica: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -202.549991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.549991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.549991 (E_RNA) where: Base-Base interactions energy: -136.617 where: short stacking energy: -59.290 Base-Backbone interact. energy: -0.099 local terms energy: -65.833936 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -11.573 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -19.355 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: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -126.381254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.381254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.381254 (E_RNA) where: Base-Base interactions energy: -72.168 where: short stacking energy: -47.282 Base-Backbone interact. energy: -0.403 local terms energy: -53.810688 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -9.435 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -11.069 tors. eta vs tors. theta energy: -9.639 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: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -88.707381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.707381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.707381 (E_RNA) where: Base-Base interactions energy: -38.404 where: short stacking energy: -28.647 Base-Backbone interact. energy: -0.869 local terms energy: -49.434658 where: bonds (distance) C4'-P energy: -12.958 bonds (distance) P-C4' energy: -10.601 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -5.161 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: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -76.418443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.418443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.418443 (E_RNA) where: Base-Base interactions energy: -29.757 where: short stacking energy: -20.958 Base-Backbone interact. energy: -0.287 local terms energy: -46.375087 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -10.019 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: -1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -82.430101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.430101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.430101 (E_RNA) where: Base-Base interactions energy: -28.994 where: short stacking energy: -29.394 Base-Backbone interact. energy: -0.923 local terms energy: -52.513340 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -7.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -220.900479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.900479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.900479 (E_RNA) where: Base-Base interactions energy: -147.451 where: short stacking energy: -65.942 Base-Backbone interact. energy: -0.066 local terms energy: -73.383293 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -13.826 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -9.076 tors. eta vs tors. theta energy: -20.182 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: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -210.776445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.776445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.776445 (E_RNA) where: Base-Base interactions energy: -136.730 where: short stacking energy: -58.919 Base-Backbone interact. energy: -0.154 local terms energy: -73.892443 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -16.109 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -16.794 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: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -219.182957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.182957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.182957 (E_RNA) where: Base-Base interactions energy: -148.807 where: short stacking energy: -67.136 Base-Backbone interact. energy: -0.349 local terms energy: -70.026540 where: bonds (distance) C4'-P energy: -15.893 bonds (distance) P-C4' energy: -15.172 flat angles C4'-P-C4' energy: -12.180 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: -18.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -206.740413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.740413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.740413 (E_RNA) where: Base-Base interactions energy: -137.542 where: short stacking energy: -61.192 Base-Backbone interact. energy: -0.002 local terms energy: -69.195920 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -11.570 tors. eta vs tors. theta energy: -18.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -205.578606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.578606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.578606 (E_RNA) where: Base-Base interactions energy: -136.325 where: short stacking energy: -55.702 Base-Backbone interact. energy: -0.004 local terms energy: -69.249872 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -15.010 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -181.477990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.477990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.477990 (E_RNA) where: Base-Base interactions energy: -126.951 where: short stacking energy: -60.492 Base-Backbone interact. energy: -0.075 local terms energy: -54.451967 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -5.828 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -10.644 tors. eta vs tors. theta energy: -14.944 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: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -114.800996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.800996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.800996 (E_RNA) where: Base-Base interactions energy: -59.275 where: short stacking energy: -34.477 Base-Backbone interact. energy: -0.142 local terms energy: -55.384505 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -15.344 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -81.021141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.021141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.021141 (E_RNA) where: Base-Base interactions energy: -38.435 where: short stacking energy: -38.435 Base-Backbone interact. energy: -0.997 local terms energy: -41.589038 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -10.121 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -76.876143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.876143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.876143 (E_RNA) where: Base-Base interactions energy: -26.750 where: short stacking energy: -26.750 Base-Backbone interact. energy: -0.234 local terms energy: -49.892921 where: bonds (distance) C4'-P energy: -9.526 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -69.597801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.597801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.597801 (E_RNA) where: Base-Base interactions energy: -28.621 where: short stacking energy: -22.070 Base-Backbone interact. energy: -0.398 local terms energy: -40.579506 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -16.315 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: 0.662 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: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -223.465605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.465605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.465605 (E_RNA) where: Base-Base interactions energy: -148.281 where: short stacking energy: -64.812 Base-Backbone interact. energy: -0.002 local terms energy: -75.182020 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -17.313 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: -17.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -216.745582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.745582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.745582 (E_RNA) where: Base-Base interactions energy: -150.205 where: short stacking energy: -68.086 Base-Backbone interact. energy: -0.012 local terms energy: -66.529188 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -19.245 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: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -199.066686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.066686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.066686 (E_RNA) where: Base-Base interactions energy: -130.052 where: short stacking energy: -57.012 Base-Backbone interact. energy: -0.001 local terms energy: -69.013367 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -13.256 tors. eta vs tors. theta energy: -16.224 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: 25 Temperature: 1.050000 Total energy: -219.386776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.386776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.386776 (E_RNA) where: Base-Base interactions energy: -150.051 where: short stacking energy: -68.756 Base-Backbone interact. energy: 0.636 local terms energy: -69.972045 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -20.756 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: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -194.252164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.252164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.252164 (E_RNA) where: Base-Base interactions energy: -131.925 where: short stacking energy: -59.463 Base-Backbone interact. energy: -0.507 local terms energy: -61.819618 where: bonds (distance) C4'-P energy: -9.679 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -17.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -195.830561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.830561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.830561 (E_RNA) where: Base-Base interactions energy: -131.947 where: short stacking energy: -59.171 Base-Backbone interact. energy: -0.030 local terms energy: -63.853931 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -11.563 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -17.288 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: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -83.043496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.043496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.043496 (E_RNA) where: Base-Base interactions energy: -35.591 where: short stacking energy: -28.303 Base-Backbone interact. energy: 0.451 local terms energy: -47.903176 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -10.292 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -2.296 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: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -79.094131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.094131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.094131 (E_RNA) where: Base-Base interactions energy: -32.908 where: short stacking energy: -32.908 Base-Backbone interact. energy: -0.130 local terms energy: -46.056119 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -8.474 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -81.201252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.201252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.201252 (E_RNA) where: Base-Base interactions energy: -26.974 where: short stacking energy: -26.990 Base-Backbone interact. energy: -0.087 local terms energy: -54.140731 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -12.995 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -7.299 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: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -70.593671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.593671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.593671 (E_RNA) where: Base-Base interactions energy: -18.931 where: short stacking energy: -18.931 Base-Backbone interact. energy: -0.571 local terms energy: -51.091622 where: bonds (distance) C4'-P energy: -13.658 bonds (distance) P-C4' energy: -15.886 flat angles C4'-P-C4' energy: -9.738 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -3.765 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: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -222.351310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.351310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.351310 (E_RNA) where: Base-Base interactions energy: -150.684 where: short stacking energy: -69.545 Base-Backbone interact. energy: -0.119 local terms energy: -71.548278 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -14.344 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -11.770 tors. eta vs tors. theta energy: -19.208 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: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -213.751707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.751707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.751707 (E_RNA) where: Base-Base interactions energy: -148.099 where: short stacking energy: -68.485 Base-Backbone interact. energy: -0.139 local terms energy: -65.513802 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -12.315 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -18.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -206.395890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.395890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.395890 (E_RNA) where: Base-Base interactions energy: -140.775 where: short stacking energy: -61.539 Base-Backbone interact. energy: -0.587 local terms energy: -65.034209 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -14.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -204.813504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.813504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.813504 (E_RNA) where: Base-Base interactions energy: -141.654 where: short stacking energy: -64.632 Base-Backbone interact. energy: -0.009 local terms energy: -63.150334 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -7.644 flat angles C4'-P-C4' energy: -17.301 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -17.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -200.033760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.033760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.033760 (E_RNA) where: Base-Base interactions energy: -136.411 where: short stacking energy: -63.437 Base-Backbone interact. energy: -0.059 local terms energy: -63.563966 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -15.344 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -18.886 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: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -192.504521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.504521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.504521 (E_RNA) where: Base-Base interactions energy: -130.304 where: short stacking energy: -55.066 Base-Backbone interact. energy: 0.804 local terms energy: -63.004598 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -17.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -87.486890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.486890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.486890 (E_RNA) where: Base-Base interactions energy: -39.203 where: short stacking energy: -39.203 Base-Backbone interact. energy: -0.911 local terms energy: -47.372951 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -9.831 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -90.691071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.691071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.691071 (E_RNA) where: Base-Base interactions energy: -36.413 where: short stacking energy: -36.413 Base-Backbone interact. energy: -0.098 local terms energy: -54.180294 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -8.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -83.445509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.445509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.445509 (E_RNA) where: Base-Base interactions energy: -28.056 where: short stacking energy: -24.621 Base-Backbone interact. energy: -0.995 local terms energy: -54.394432 where: bonds (distance) C4'-P energy: -15.500 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -10.270 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -69.112786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.112786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.112786 (E_RNA) where: Base-Base interactions energy: -32.008 where: short stacking energy: -28.021 Base-Backbone interact. energy: -0.287 local terms energy: -36.817576 where: bonds (distance) C4'-P energy: -6.894 bonds (distance) P-C4' energy: -10.132 flat angles C4'-P-C4' energy: -10.982 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -0.962 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: 27 Temperature: 0.900000 Total energy: -223.063775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.063775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.063775 (E_RNA) where: Base-Base interactions energy: -157.952 where: short stacking energy: -70.777 Base-Backbone interact. energy: -0.333 local terms energy: -64.779002 where: bonds (distance) C4'-P energy: -8.442 bonds (distance) P-C4' energy: -10.009 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -13.142 tors. eta vs tors. theta energy: -18.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -217.217582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.217582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.217582 (E_RNA) where: Base-Base interactions energy: -142.146 where: short stacking energy: -62.142 Base-Backbone interact. energy: -0.570 local terms energy: -74.501779 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -15.337 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -19.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -220.582648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.582648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.582648 (E_RNA) where: Base-Base interactions energy: -147.917 where: short stacking energy: -66.523 Base-Backbone interact. energy: 0.183 local terms energy: -72.847978 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -12.711 flat angles C4'-P-C4' energy: -14.997 flat angles P-C4'-P energy: -13.297 tors. eta vs tors. theta energy: -17.895 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: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -201.642532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.642532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.642532 (E_RNA) where: Base-Base interactions energy: -135.372 where: short stacking energy: -63.069 Base-Backbone interact. energy: -0.007 local terms energy: -66.262941 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -13.387 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -8.964 tors. eta vs tors. theta energy: -16.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -194.309980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.309980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.309980 (E_RNA) where: Base-Base interactions energy: -135.702 where: short stacking energy: -59.721 Base-Backbone interact. energy: -0.079 local terms energy: -58.528216 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -17.645 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: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -199.106978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.106978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.106978 (E_RNA) where: Base-Base interactions energy: -134.192 where: short stacking energy: -61.942 Base-Backbone interact. energy: -0.308 local terms energy: -64.606944 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -14.431 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -15.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -80.839605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.839605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.839605 (E_RNA) where: Base-Base interactions energy: -33.636 where: short stacking energy: -33.636 Base-Backbone interact. energy: -0.243 local terms energy: -46.961571 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -14.727 flat angles C4'-P-C4' energy: -11.203 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -72.474020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.474020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.474020 (E_RNA) where: Base-Base interactions energy: -24.934 where: short stacking energy: -24.992 Base-Backbone interact. energy: -0.010 local terms energy: -47.529703 where: bonds (distance) C4'-P energy: -11.309 bonds (distance) P-C4' energy: -15.067 flat angles C4'-P-C4' energy: -9.557 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -88.055770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.055770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.055770 (E_RNA) where: Base-Base interactions energy: -38.463 where: short stacking energy: -38.463 Base-Backbone interact. energy: -0.036 local terms energy: -49.557269 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -12.289 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -8.197 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: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -83.119398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.119398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.119398 (E_RNA) where: Base-Base interactions energy: -37.765 where: short stacking energy: -31.958 Base-Backbone interact. energy: -0.202 local terms energy: -45.152069 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -219.827330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.827330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.827330 (E_RNA) where: Base-Base interactions energy: -142.510 where: short stacking energy: -62.701 Base-Backbone interact. energy: -0.007 local terms energy: -77.310498 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -12.087 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: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -215.406718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.406718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.406718 (E_RNA) where: Base-Base interactions energy: -146.295 where: short stacking energy: -64.021 Base-Backbone interact. energy: -0.061 local terms energy: -69.050389 where: bonds (distance) C4'-P energy: -12.595 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: -18.051 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: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -203.936908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.936908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.936908 (E_RNA) where: Base-Base interactions energy: -139.042 where: short stacking energy: -61.044 Base-Backbone interact. energy: -0.076 local terms energy: -64.818797 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -16.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -209.986461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.986461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.986461 (E_RNA) where: Base-Base interactions energy: -143.900 where: short stacking energy: -65.313 Base-Backbone interact. energy: -0.002 local terms energy: -66.084363 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -7.685 flat angles C4'-P-C4' energy: -15.690 flat angles P-C4'-P energy: -11.839 tors. eta vs tors. theta energy: -18.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -197.674285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.674285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.674285 (E_RNA) where: Base-Base interactions energy: -136.890 where: short stacking energy: -58.620 Base-Backbone interact. energy: -0.186 local terms energy: -60.598056 where: bonds (distance) C4'-P energy: -9.079 bonds (distance) P-C4' energy: -10.135 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -9.619 tors. eta vs tors. theta energy: -18.319 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: 9 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -193.393220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.393220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.393220 (E_RNA) where: Base-Base interactions energy: -122.882 where: short stacking energy: -52.094 Base-Backbone interact. energy: -0.042 local terms energy: -70.468819 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -15.139 flat angles P-C4'-P energy: -10.731 tors. eta vs tors. theta energy: -15.390 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: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -95.851877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.851877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.851877 (E_RNA) where: Base-Base interactions energy: -43.567 where: short stacking energy: -41.617 Base-Backbone interact. energy: -0.009 local terms energy: -52.275562 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -10.938 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -87.455177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.455177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.455177 (E_RNA) where: Base-Base interactions energy: -36.374 where: short stacking energy: -32.793 Base-Backbone interact. energy: -0.002 local terms energy: -51.079196 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -8.014 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -9.890 tors. eta vs tors. theta energy: -5.144 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: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -88.169622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.169622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.169622 (E_RNA) where: Base-Base interactions energy: -42.887 where: short stacking energy: -28.946 Base-Backbone interact. energy: 0.261 local terms energy: -45.543638 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -8.506 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -7.668 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: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -73.075718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.075718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.075718 (E_RNA) where: Base-Base interactions energy: -30.874 where: short stacking energy: -26.167 Base-Backbone interact. energy: -0.112 local terms energy: -42.089583 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -223.304783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.304783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.304783 (E_RNA) where: Base-Base interactions energy: -151.566 where: short stacking energy: -58.281 Base-Backbone interact. energy: -0.056 local terms energy: -71.682333 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -16.429 flat angles P-C4'-P energy: -11.084 tors. eta vs tors. theta energy: -15.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -206.902563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.902563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.902563 (E_RNA) where: Base-Base interactions energy: -138.823 where: short stacking energy: -63.393 Base-Backbone interact. energy: -0.156 local terms energy: -67.923805 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -14.451 flat angles C4'-P-C4' energy: -16.238 flat angles P-C4'-P energy: -6.977 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -215.730071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.730071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.730071 (E_RNA) where: Base-Base interactions energy: -149.275 where: short stacking energy: -68.297 Base-Backbone interact. energy: -0.281 local terms energy: -66.173824 where: bonds (distance) C4'-P energy: -8.183 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -19.114 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: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -199.172434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.172434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.172434 (E_RNA) where: Base-Base interactions energy: -137.018 where: short stacking energy: -62.024 Base-Backbone interact. energy: -0.003 local terms energy: -62.151942 where: bonds (distance) C4'-P energy: -12.046 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -16.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -207.869261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.869261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.869261 (E_RNA) where: Base-Base interactions energy: -139.939 where: short stacking energy: -59.120 Base-Backbone interact. energy: -0.017 local terms energy: -67.913045 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -10.893 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -16.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -186.360880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.360880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.360880 (E_RNA) where: Base-Base interactions energy: -127.695 where: short stacking energy: -56.632 Base-Backbone interact. energy: -0.173 local terms energy: -58.493344 where: bonds (distance) C4'-P energy: -10.201 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -12.283 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -15.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -75.979322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.979322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.979322 (E_RNA) where: Base-Base interactions energy: -31.665 where: short stacking energy: -31.665 Base-Backbone interact. energy: 0.156 local terms energy: -44.470482 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -2.379 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: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -78.209289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.209289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.209289 (E_RNA) where: Base-Base interactions energy: -31.376 where: short stacking energy: -31.376 Base-Backbone interact. energy: -0.106 local terms energy: -46.727489 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -13.685 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -76.141892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.141892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.141892 (E_RNA) where: Base-Base interactions energy: -34.197 where: short stacking energy: -28.420 Base-Backbone interact. energy: -0.009 local terms energy: -41.936401 where: bonds (distance) C4'-P energy: -9.622 bonds (distance) P-C4' energy: -12.739 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -78.747136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.747136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.747136 (E_RNA) where: Base-Base interactions energy: -36.943 where: short stacking energy: -32.908 Base-Backbone interact. energy: -0.213 local terms energy: -41.591477 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -8.403 tors. eta vs tors. theta energy: 2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -210.480980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.480980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.480980 (E_RNA) where: Base-Base interactions energy: -140.075 where: short stacking energy: -63.148 Base-Backbone interact. energy: -0.176 local terms energy: -70.229566 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -18.574 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: 30 Temperature: 0.950000 Total energy: -217.920232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.920232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.920232 (E_RNA) where: Base-Base interactions energy: -150.533 where: short stacking energy: -66.703 Base-Backbone interact. energy: -0.028 local terms energy: -67.359801 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -14.299 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -19.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -218.779769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.779769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.779769 (E_RNA) where: Base-Base interactions energy: -149.089 where: short stacking energy: -61.802 Base-Backbone interact. energy: -0.213 local terms energy: -69.477990 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -17.867 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: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -195.049167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.049167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.049167 (E_RNA) where: Base-Base interactions energy: -125.318 where: short stacking energy: -55.109 Base-Backbone interact. energy: -0.099 local terms energy: -69.632513 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -14.774 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -16.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -197.520834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.520834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.520834 (E_RNA) where: Base-Base interactions energy: -127.995 where: short stacking energy: -54.925 Base-Backbone interact. energy: -0.066 local terms energy: -69.460025 where: bonds (distance) C4'-P energy: -13.816 bonds (distance) P-C4' energy: -11.853 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -10.089 tors. eta vs tors. theta energy: -18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -208.318625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.318625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.318625 (E_RNA) where: Base-Base interactions energy: -143.611 where: short stacking energy: -61.237 Base-Backbone interact. energy: -0.040 local terms energy: -64.667400 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -14.151 flat angles C4'-P-C4' energy: -14.001 flat angles P-C4'-P energy: -11.909 tors. eta vs tors. theta energy: -17.154 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: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -91.368109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.368109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.368109 (E_RNA) where: Base-Base interactions energy: -39.535 where: short stacking energy: -37.139 Base-Backbone interact. energy: -0.295 local terms energy: -51.538073 where: bonds (distance) C4'-P energy: -11.149 bonds (distance) P-C4' energy: -13.369 flat angles C4'-P-C4' energy: -12.035 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -7.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -77.896520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.896520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.896520 (E_RNA) where: Base-Base interactions energy: -29.429 where: short stacking energy: -25.773 Base-Backbone interact. energy: -0.040 local terms energy: -48.427634 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -8.414 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -72.280669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.280669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.280669 (E_RNA) where: Base-Base interactions energy: -34.446 where: short stacking energy: -31.477 Base-Backbone interact. energy: 0.332 local terms energy: -38.166940 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -14.415 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -67.398797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.398797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.398797 (E_RNA) where: Base-Base interactions energy: -24.442 where: short stacking energy: -24.442 Base-Backbone interact. energy: -0.016 local terms energy: -42.940325 where: bonds (distance) C4'-P energy: -10.698 bonds (distance) P-C4' energy: -11.193 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -4.689 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: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -214.506371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.506371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.506371 (E_RNA) where: Base-Base interactions energy: -141.516 where: short stacking energy: -69.456 Base-Backbone interact. energy: -0.240 local terms energy: -72.750022 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -20.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -214.526742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.526742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.526742 (E_RNA) where: Base-Base interactions energy: -145.308 where: short stacking energy: -66.327 Base-Backbone interact. energy: -0.082 local terms energy: -69.136809 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -11.353 flat angles C4'-P-C4' energy: -12.554 flat angles P-C4'-P energy: -11.031 tors. eta vs tors. theta energy: -19.729 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: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -209.160920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.160920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.160920 (E_RNA) where: Base-Base interactions energy: -139.759 where: short stacking energy: -55.980 Base-Backbone interact. energy: -0.037 local terms energy: -69.364993 where: bonds (distance) C4'-P energy: -14.283 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -12.414 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: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -205.190891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.190891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.190891 (E_RNA) where: Base-Base interactions energy: -137.881 where: short stacking energy: -62.142 Base-Backbone interact. energy: -0.043 local terms energy: -67.266799 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -12.918 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -18.318 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: 5, replica: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -196.134543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.134543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.134543 (E_RNA) where: Base-Base interactions energy: -133.975 where: short stacking energy: -64.316 Base-Backbone interact. energy: -0.024 local terms energy: -62.135040 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -7.564 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -9.599 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: 6, replica: 3 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -201.916185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.916185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.916185 (E_RNA) where: Base-Base interactions energy: -138.818 where: short stacking energy: -61.913 Base-Backbone interact. energy: -0.127 local terms energy: -62.971388 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -11.580 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -19.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -90.370958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.370958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.370958 (E_RNA) where: Base-Base interactions energy: -41.049 where: short stacking energy: -31.778 Base-Backbone interact. energy: -0.271 local terms energy: -49.050759 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -10.813 flat angles P-C4'-P energy: -10.255 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -91.217899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.217899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.217899 (E_RNA) where: Base-Base interactions energy: -33.244 where: short stacking energy: -33.049 Base-Backbone interact. energy: -0.031 local terms energy: -57.942314 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -11.476 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -11.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -78.491661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.491661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.491661 (E_RNA) where: Base-Base interactions energy: -30.849 where: short stacking energy: -29.055 Base-Backbone interact. energy: -0.063 local terms energy: -47.579838 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -74.429325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.429325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.429325 (E_RNA) where: Base-Base interactions energy: -25.855 where: short stacking energy: -25.855 Base-Backbone interact. energy: -0.138 local terms energy: -48.437063 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -13.367 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -226.134451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.134451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.134451 (E_RNA) where: Base-Base interactions energy: -149.384 where: short stacking energy: -62.789 Base-Backbone interact. energy: -0.514 local terms energy: -76.235887 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -15.508 flat angles P-C4'-P energy: -10.335 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: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -208.814926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.814926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.814926 (E_RNA) where: Base-Base interactions energy: -139.703 where: short stacking energy: -64.037 Base-Backbone interact. energy: -0.108 local terms energy: -69.003187 where: bonds (distance) C4'-P energy: -14.784 bonds (distance) P-C4' energy: -14.459 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -19.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -215.976375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.976375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.976375 (E_RNA) where: Base-Base interactions energy: -148.493 where: short stacking energy: -66.716 Base-Backbone interact. energy: -0.183 local terms energy: -67.299817 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -8.805 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: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -199.762754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.762754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.762754 (E_RNA) where: Base-Base interactions energy: -129.933 where: short stacking energy: -59.636 Base-Backbone interact. energy: 2.111 local terms energy: -71.940215 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -18.414 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: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -209.638474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.638474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.638474 (E_RNA) where: Base-Base interactions energy: -141.700 where: short stacking energy: -61.791 Base-Backbone interact. energy: -0.214 local terms energy: -67.725206 where: bonds (distance) C4'-P energy: -13.737 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -11.001 flat angles P-C4'-P energy: -11.594 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: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -191.624611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.624611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.624611 (E_RNA) where: Base-Base interactions energy: -128.839 where: short stacking energy: -60.777 Base-Backbone interact. energy: -0.005 local terms energy: -62.780316 where: bonds (distance) C4'-P energy: -11.775 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -7.535 tors. eta vs tors. theta energy: -15.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -89.537489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537489 (E_RNA) where: Base-Base interactions energy: -37.734 where: short stacking energy: -30.375 Base-Backbone interact. energy: -0.159 local terms energy: -51.644466 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -4.245 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: 8, replica: 7 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -82.384839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.384839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.384839 (E_RNA) where: Base-Base interactions energy: -33.321 where: short stacking energy: -33.321 Base-Backbone interact. energy: -0.111 local terms energy: -48.953224 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -11.106 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -87.012095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.012095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.012095 (E_RNA) where: Base-Base interactions energy: -40.561 where: short stacking energy: -37.096 Base-Backbone interact. energy: -0.094 local terms energy: -46.357465 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -9.654 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -3.222 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: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -83.167028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.167028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.167028 (E_RNA) where: Base-Base interactions energy: -30.222 where: short stacking energy: -30.222 Base-Backbone interact. energy: -0.026 local terms energy: -52.919103 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -10.136 tors. eta vs tors. theta energy: -7.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -221.252901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.252901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.252901 (E_RNA) where: Base-Base interactions energy: -148.668 where: short stacking energy: -66.432 Base-Backbone interact. energy: -0.003 local terms energy: -72.581182 where: bonds (distance) C4'-P energy: -16.274 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -18.899 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: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -205.617421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.617421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.617421 (E_RNA) where: Base-Base interactions energy: -137.947 where: short stacking energy: -64.071 Base-Backbone interact. energy: -0.004 local terms energy: -67.666627 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -15.743 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: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -214.323621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.323621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.323621 (E_RNA) where: Base-Base interactions energy: -143.667 where: short stacking energy: -60.417 Base-Backbone interact. energy: -0.879 local terms energy: -69.777032 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -12.118 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -17.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -205.601365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.601365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.601365 (E_RNA) where: Base-Base interactions energy: -139.326 where: short stacking energy: -60.632 Base-Backbone interact. energy: -0.062 local terms energy: -66.213434 where: bonds (distance) C4'-P energy: -12.660 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -14.709 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: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -191.433885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.433885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.433885 (E_RNA) where: Base-Base interactions energy: -134.311 where: short stacking energy: -58.201 Base-Backbone interact. energy: -0.160 local terms energy: -56.962234 where: bonds (distance) C4'-P energy: -8.240 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -10.689 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -15.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -193.206731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.206731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.206731 (E_RNA) where: Base-Base interactions energy: -133.985 where: short stacking energy: -64.253 Base-Backbone interact. energy: -0.523 local terms energy: -58.698101 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -11.259 flat angles P-C4'-P energy: -3.468 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: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -82.234931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.234931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.234931 (E_RNA) where: Base-Base interactions energy: -32.535 where: short stacking energy: -23.025 Base-Backbone interact. energy: -0.179 local terms energy: -49.521556 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -12.329 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -1.442 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: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -87.381150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.381150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.381150 (E_RNA) where: Base-Base interactions energy: -45.717 where: short stacking energy: -37.761 Base-Backbone interact. energy: -0.375 local terms energy: -41.289029 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -11.171 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -73.711952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.711952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.711952 (E_RNA) where: Base-Base interactions energy: -27.163 where: short stacking energy: -27.163 Base-Backbone interact. energy: -0.022 local terms energy: -46.527164 where: bonds (distance) C4'-P energy: -10.138 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -3.778 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: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -78.243674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.243674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.243674 (E_RNA) where: Base-Base interactions energy: -35.553 where: short stacking energy: -35.553 Base-Backbone interact. energy: -0.233 local terms energy: -42.457565 where: bonds (distance) C4'-P energy: -10.296 bonds (distance) P-C4' energy: -11.462 flat angles C4'-P-C4' energy: -10.082 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -8.023 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: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -213.594013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.594013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.594013 (E_RNA) where: Base-Base interactions energy: -142.648 where: short stacking energy: -66.322 Base-Backbone interact. energy: -0.294 local terms energy: -70.651541 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -15.221 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -16.658 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: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -222.726776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.726776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.726776 (E_RNA) where: Base-Base interactions energy: -149.355 where: short stacking energy: -66.447 Base-Backbone interact. energy: -0.023 local terms energy: -73.348289 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -15.162 flat angles P-C4'-P energy: -12.848 tors. eta vs tors. theta energy: -18.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -207.417674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.417674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.417674 (E_RNA) where: Base-Base interactions energy: -144.224 where: short stacking energy: -59.305 Base-Backbone interact. energy: -0.010 local terms energy: -63.183384 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -9.681 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -17.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -213.600616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.600616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.600616 (E_RNA) where: Base-Base interactions energy: -143.129 where: short stacking energy: -67.659 Base-Backbone interact. energy: -0.002 local terms energy: -70.469100 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -19.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -192.900019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.900019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.900019 (E_RNA) where: Base-Base interactions energy: -133.334 where: short stacking energy: -50.681 Base-Backbone interact. energy: -0.196 local terms energy: -59.369890 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -10.270 tors. eta vs tors. theta energy: -10.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -192.216374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.216374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.216374 (E_RNA) where: Base-Base interactions energy: -126.841 where: short stacking energy: -54.390 Base-Backbone interact. energy: -0.001 local terms energy: -65.374430 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -12.851 flat angles C4'-P-C4' energy: -13.283 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -14.462 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: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -136.438196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.438196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.438196 (E_RNA) where: Base-Base interactions energy: -74.138 where: short stacking energy: -41.703 Base-Backbone interact. energy: -0.010 local terms energy: -62.291129 where: bonds (distance) C4'-P energy: -15.695 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -12.815 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: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -112.057430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.057430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.057430 (E_RNA) where: Base-Base interactions energy: -61.905 where: short stacking energy: -30.510 Base-Backbone interact. energy: 0.360 local terms energy: -50.512088 where: bonds (distance) C4'-P energy: -13.861 bonds (distance) P-C4' energy: -15.636 flat angles C4'-P-C4' energy: -11.256 flat angles P-C4'-P energy: -7.452 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -91.501871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.501871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.501871 (E_RNA) where: Base-Base interactions energy: -36.465 where: short stacking energy: -36.465 Base-Backbone interact. energy: 0.574 local terms energy: -55.610159 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -9.958 tors. eta vs tors. theta energy: -6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -79.775282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.775282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.775282 (E_RNA) where: Base-Base interactions energy: -33.286 where: short stacking energy: -32.135 Base-Backbone interact. energy: -0.149 local terms energy: -46.340725 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -5.853 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: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -215.126979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.126979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.126979 (E_RNA) where: Base-Base interactions energy: -143.936 where: short stacking energy: -62.774 Base-Backbone interact. energy: -0.285 local terms energy: -70.905110 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -15.515 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -18.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -216.170688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.170688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.170688 (E_RNA) where: Base-Base interactions energy: -153.684 where: short stacking energy: -63.921 Base-Backbone interact. energy: -0.055 local terms energy: -62.432139 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -16.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -208.449164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.449164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.449164 (E_RNA) where: Base-Base interactions energy: -142.684 where: short stacking energy: -62.645 Base-Backbone interact. energy: -0.008 local terms energy: -65.757909 where: bonds (distance) C4'-P energy: -13.062 bonds (distance) P-C4' energy: -11.583 flat angles C4'-P-C4' energy: -14.643 flat angles P-C4'-P energy: -10.694 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -211.549702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.549702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.549702 (E_RNA) where: Base-Base interactions energy: -145.256 where: short stacking energy: -65.068 Base-Backbone interact. energy: -0.907 local terms energy: -65.386075 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -11.142 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -17.456 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: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -182.167979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.167979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.167979 (E_RNA) where: Base-Base interactions energy: -127.765 where: short stacking energy: -50.064 Base-Backbone interact. energy: -0.052 local terms energy: -54.351200 where: bonds (distance) C4'-P energy: -10.401 bonds (distance) P-C4' energy: -10.702 flat angles C4'-P-C4' energy: -9.985 flat angles P-C4'-P energy: -6.191 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: 6, replica: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -202.749621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.749621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.749621 (E_RNA) where: Base-Base interactions energy: -140.539 where: short stacking energy: -65.948 Base-Backbone interact. energy: -0.007 local terms energy: -62.204178 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -10.928 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -17.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -128.706278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.706278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.706278 (E_RNA) where: Base-Base interactions energy: -78.408 where: short stacking energy: -46.569 Base-Backbone interact. energy: -0.065 local terms energy: -50.232662 where: bonds (distance) C4'-P energy: -10.317 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -11.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -76.913781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.913781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.913781 (E_RNA) where: Base-Base interactions energy: -37.590 where: short stacking energy: -35.239 Base-Backbone interact. energy: -0.242 local terms energy: -39.081613 where: bonds (distance) C4'-P energy: -11.049 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -109.206442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.206442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.206442 (E_RNA) where: Base-Base interactions energy: -53.808 where: short stacking energy: -30.001 Base-Backbone interact. energy: -0.104 local terms energy: -55.294732 where: bonds (distance) C4'-P energy: -14.155 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -10.417 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: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -77.528892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.528892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.528892 (E_RNA) where: Base-Base interactions energy: -27.753 where: short stacking energy: -27.753 Base-Backbone interact. energy: -0.094 local terms energy: -49.682005 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -14.102 flat angles C4'-P-C4' energy: -11.380 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -4.118 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: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -229.986889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.986889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.986889 (E_RNA) where: Base-Base interactions energy: -155.647 where: short stacking energy: -70.343 Base-Backbone interact. energy: -0.269 local terms energy: -74.071131 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -18.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -211.952993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.952993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.952993 (E_RNA) where: Base-Base interactions energy: -140.971 where: short stacking energy: -65.579 Base-Backbone interact. energy: -0.134 local terms energy: -70.847669 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -13.943 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -11.813 tors. eta vs tors. theta energy: -18.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -213.473521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.473521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.473521 (E_RNA) where: Base-Base interactions energy: -143.841 where: short stacking energy: -64.873 Base-Backbone interact. energy: -0.016 local terms energy: -69.616642 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -14.027 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -18.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -215.594419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.594419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.594419 (E_RNA) where: Base-Base interactions energy: -143.360 where: short stacking energy: -66.735 Base-Backbone interact. energy: -0.008 local terms energy: -72.226166 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -12.140 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: 5, replica: 9 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -198.834281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.834281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.834281 (E_RNA) where: Base-Base interactions energy: -138.022 where: short stacking energy: -65.130 Base-Backbone interact. energy: -0.241 local terms energy: -60.571057 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -11.383 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -9.086 tors. eta vs tors. theta energy: -15.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -190.364813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.364813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.364813 (E_RNA) where: Base-Base interactions energy: -118.269 where: short stacking energy: -52.354 Base-Backbone interact. energy: -0.786 local terms energy: -71.309699 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -11.814 tors. eta vs tors. theta energy: -17.308 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: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -87.500372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.500372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.500372 (E_RNA) where: Base-Base interactions energy: -40.735 where: short stacking energy: -40.735 Base-Backbone interact. energy: -0.149 local terms energy: -46.616666 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -10.597 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -3.555 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: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -82.334695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.334695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.334695 (E_RNA) where: Base-Base interactions energy: -37.635 where: short stacking energy: -37.635 Base-Backbone interact. energy: -0.195 local terms energy: -44.504287 where: bonds (distance) C4'-P energy: -10.885 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -9.610 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -5.327 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: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -87.443153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.443153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.443153 (E_RNA) where: Base-Base interactions energy: -33.286 where: short stacking energy: -33.094 Base-Backbone interact. energy: 1.254 local terms energy: -55.411756 where: bonds (distance) C4'-P energy: -15.935 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -9.543 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -81.070705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.070705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.070705 (E_RNA) where: Base-Base interactions energy: -39.707 where: short stacking energy: -36.855 Base-Backbone interact. energy: -0.137 local terms energy: -41.226419 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -10.281 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -5.889 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: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -223.244440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.244440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.244440 (E_RNA) where: Base-Base interactions energy: -153.151 where: short stacking energy: -69.532 Base-Backbone interact. energy: -0.217 local terms energy: -69.876719 where: bonds (distance) C4'-P energy: -12.180 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -19.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -210.964293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.964293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.964293 (E_RNA) where: Base-Base interactions energy: -140.150 where: short stacking energy: -62.235 Base-Backbone interact. energy: -0.100 local terms energy: -70.714480 where: bonds (distance) C4'-P energy: -14.631 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -222.988144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.988144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.988144 (E_RNA) where: Base-Base interactions energy: -152.311 where: short stacking energy: -68.593 Base-Backbone interact. energy: 1.373 local terms energy: -72.049444 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -14.026 tors. eta vs tors. theta energy: -19.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -210.875095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.875095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.875095 (E_RNA) where: Base-Base interactions energy: -146.822 where: short stacking energy: -61.180 Base-Backbone interact. energy: -0.001 local terms energy: -64.052223 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -11.599 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -17.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -196.818285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.818285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.818285 (E_RNA) where: Base-Base interactions energy: -139.016 where: short stacking energy: -62.410 Base-Backbone interact. energy: -0.045 local terms energy: -57.757107 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -12.464 flat angles C4'-P-C4' energy: -13.393 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -17.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -202.765158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.765158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.765158 (E_RNA) where: Base-Base interactions energy: -133.890 where: short stacking energy: -61.418 Base-Backbone interact. energy: -0.275 local terms energy: -68.599909 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -17.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -95.524115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.524115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.524115 (E_RNA) where: Base-Base interactions energy: -54.219 where: short stacking energy: -31.050 Base-Backbone interact. energy: -0.038 local terms energy: -41.267048 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -10.321 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -0.469 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: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -81.996153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.996153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.996153 (E_RNA) where: Base-Base interactions energy: -30.297 where: short stacking energy: -30.297 Base-Backbone interact. energy: -0.110 local terms energy: -51.588833 where: bonds (distance) C4'-P energy: -11.738 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -3.847 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: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -75.974591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.974591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.974591 (E_RNA) where: Base-Base interactions energy: -28.890 where: short stacking energy: -28.857 Base-Backbone interact. energy: -0.287 local terms energy: -46.796976 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -7.547 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -77.336416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.336416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.336416 (E_RNA) where: Base-Base interactions energy: -32.384 where: short stacking energy: -27.911 Base-Backbone interact. energy: -0.086 local terms energy: -44.866469 where: bonds (distance) C4'-P energy: -6.260 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -10.813 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -3.497 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: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -222.152881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.152881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.152881 (E_RNA) where: Base-Base interactions energy: -147.008 where: short stacking energy: -65.054 Base-Backbone interact. energy: -0.190 local terms energy: -74.954710 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -12.776 tors. eta vs tors. theta energy: -19.557 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: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -210.444752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.444752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.444752 (E_RNA) where: Base-Base interactions energy: -143.512 where: short stacking energy: -66.915 Base-Backbone interact. energy: -0.157 local terms energy: -66.775564 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -17.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -217.965174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.965174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.965174 (E_RNA) where: Base-Base interactions energy: -152.083 where: short stacking energy: -71.345 Base-Backbone interact. energy: 0.125 local terms energy: -66.007336 where: bonds (distance) C4'-P energy: -10.136 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -14.798 flat angles P-C4'-P energy: -11.495 tors. eta vs tors. theta energy: -17.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -223.160753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.160753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.160753 (E_RNA) where: Base-Base interactions energy: -147.102 where: short stacking energy: -66.842 Base-Backbone interact. energy: -0.723 local terms energy: -75.335699 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -15.013 flat angles P-C4'-P energy: -11.219 tors. eta vs tors. theta energy: -19.826 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: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -196.837198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.837198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.837198 (E_RNA) where: Base-Base interactions energy: -138.976 where: short stacking energy: -67.511 Base-Backbone interact. energy: -0.024 local terms energy: -57.837594 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -10.694 flat angles C4'-P-C4' energy: -11.773 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -17.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -187.232549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.232549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.232549 (E_RNA) where: Base-Base interactions energy: -127.376 where: short stacking energy: -55.875 Base-Backbone interact. energy: -0.181 local terms energy: -59.676280 where: bonds (distance) C4'-P energy: -7.917 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -7.241 tors. eta vs tors. theta energy: -17.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -97.363296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.363296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.363296 (E_RNA) where: Base-Base interactions energy: -37.625 where: short stacking energy: -37.625 Base-Backbone interact. energy: -0.040 local terms energy: -59.697837 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -13.630 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -113.886290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.886290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.886290 (E_RNA) where: Base-Base interactions energy: -66.488 where: short stacking energy: -33.784 Base-Backbone interact. energy: -0.139 local terms energy: -47.258566 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -12.228 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -7.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -83.014806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.014806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.014806 (E_RNA) where: Base-Base interactions energy: -35.346 where: short stacking energy: -22.297 Base-Backbone interact. energy: -0.571 local terms energy: -47.098458 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -77.532714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.532714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.532714 (E_RNA) where: Base-Base interactions energy: -31.405 where: short stacking energy: -29.812 Base-Backbone interact. energy: -0.072 local terms energy: -46.056376 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -2.923 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: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -222.969151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.969151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.969151 (E_RNA) where: Base-Base interactions energy: -149.582 where: short stacking energy: -69.993 Base-Backbone interact. energy: -0.160 local terms energy: -73.227029 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -19.510 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: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -220.829593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.829593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.829593 (E_RNA) where: Base-Base interactions energy: -151.921 where: short stacking energy: -70.674 Base-Backbone interact. energy: -0.025 local terms energy: -68.883976 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -11.336 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -19.373 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: 3, replica: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -206.184635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.184635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.184635 (E_RNA) where: Base-Base interactions energy: -140.101 where: short stacking energy: -65.454 Base-Backbone interact. energy: -0.063 local terms energy: -66.020612 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -15.381 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -15.902 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: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -211.099997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.099997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.099997 (E_RNA) where: Base-Base interactions energy: -143.352 where: short stacking energy: -66.147 Base-Backbone interact. energy: -0.001 local terms energy: -67.747302 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -14.010 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -18.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -203.452145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.452145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.452145 (E_RNA) where: Base-Base interactions energy: -138.135 where: short stacking energy: -63.408 Base-Backbone interact. energy: -0.010 local terms energy: -65.306536 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -17.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -195.309213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.309213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.309213 (E_RNA) where: Base-Base interactions energy: -129.819 where: short stacking energy: -62.676 Base-Backbone interact. energy: -0.095 local terms energy: -65.395197 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -16.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -90.175987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.175987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.175987 (E_RNA) where: Base-Base interactions energy: -43.003 where: short stacking energy: -33.604 Base-Backbone interact. energy: -0.027 local terms energy: -47.146207 where: bonds (distance) C4'-P energy: -10.973 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -11.311 flat angles P-C4'-P energy: -11.601 tors. eta vs tors. theta energy: -1.286 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: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -78.709866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.709866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.709866 (E_RNA) where: Base-Base interactions energy: -25.281 where: short stacking energy: -25.281 Base-Backbone interact. energy: -0.094 local terms energy: -53.334760 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -4.053 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: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -117.670899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.670899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.670899 (E_RNA) where: Base-Base interactions energy: -73.166 where: short stacking energy: -39.414 Base-Backbone interact. energy: -0.200 local terms energy: -44.304969 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -13.335 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -80.103805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.103805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.103805 (E_RNA) where: Base-Base interactions energy: -44.106 where: short stacking energy: -42.706 Base-Backbone interact. energy: -0.513 local terms energy: -35.484934 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -8.110 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -223.610405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.610405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.610405 (E_RNA) where: Base-Base interactions energy: -155.490 where: short stacking energy: -72.074 Base-Backbone interact. energy: -0.723 local terms energy: -67.397883 where: bonds (distance) C4'-P energy: -10.654 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -12.653 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -18.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -217.702700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.702700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.702700 (E_RNA) where: Base-Base interactions energy: -145.887 where: short stacking energy: -67.874 Base-Backbone interact. energy: -0.024 local terms energy: -71.791580 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -14.887 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -19.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -217.072012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.072012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.072012 (E_RNA) where: Base-Base interactions energy: -144.021 where: short stacking energy: -59.808 Base-Backbone interact. energy: -0.277 local terms energy: -72.774130 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -14.252 flat angles C4'-P-C4' energy: -13.893 flat angles P-C4'-P energy: -12.206 tors. eta vs tors. theta energy: -19.453 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: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -195.231873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.231873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.231873 (E_RNA) where: Base-Base interactions energy: -132.058 where: short stacking energy: -59.601 Base-Backbone interact. energy: -0.014 local terms energy: -63.159654 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -9.901 flat angles P-C4'-P energy: -11.331 tors. eta vs tors. theta energy: -14.873 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: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -197.427998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.427998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.427998 (E_RNA) where: Base-Base interactions energy: -128.834 where: short stacking energy: -55.784 Base-Backbone interact. energy: 0.090 local terms energy: -68.684006 where: bonds (distance) C4'-P energy: -13.128 bonds (distance) P-C4' energy: -14.080 flat angles C4'-P-C4' energy: -16.360 flat angles P-C4'-P energy: -8.677 tors. eta vs tors. theta energy: -16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -192.497193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.497193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.497193 (E_RNA) where: Base-Base interactions energy: -127.736 where: short stacking energy: -55.358 Base-Backbone interact. energy: -0.204 local terms energy: -64.557332 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -11.177 tors. eta vs tors. theta energy: -17.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -128.003307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.003307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.003307 (E_RNA) where: Base-Base interactions energy: -77.154 where: short stacking energy: -50.882 Base-Backbone interact. energy: -0.035 local terms energy: -50.813759 where: bonds (distance) C4'-P energy: -9.917 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -9.729 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -9.643 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: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -79.988828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.988828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.988828 (E_RNA) where: Base-Base interactions energy: -31.489 where: short stacking energy: -26.904 Base-Backbone interact. energy: -0.061 local terms energy: -48.438722 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -6.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -81.874244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.874244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.874244 (E_RNA) where: Base-Base interactions energy: -36.619 where: short stacking energy: -29.914 Base-Backbone interact. energy: -0.211 local terms energy: -45.045038 where: bonds (distance) C4'-P energy: -9.178 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -10.635 flat angles P-C4'-P energy: -11.137 tors. eta vs tors. theta energy: -4.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -73.523433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.523433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.523433 (E_RNA) where: Base-Base interactions energy: -26.738 where: short stacking energy: -22.354 Base-Backbone interact. energy: 2.256 local terms energy: -49.040931 where: bonds (distance) C4'-P energy: -9.219 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -12.636 flat angles P-C4'-P energy: -11.183 tors. eta vs tors. theta energy: -0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -218.973674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.973674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.973674 (E_RNA) where: Base-Base interactions energy: -144.796 where: short stacking energy: -67.429 Base-Backbone interact. energy: -0.156 local terms energy: -74.021534 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -14.721 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -11.507 tors. eta vs tors. theta energy: -19.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -218.550201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.550201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.550201 (E_RNA) where: Base-Base interactions energy: -151.609 where: short stacking energy: -65.976 Base-Backbone interact. energy: -0.633 local terms energy: -66.308331 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -16.728 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -18.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -210.109676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.109676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.109676 (E_RNA) where: Base-Base interactions energy: -141.064 where: short stacking energy: -62.033 Base-Backbone interact. energy: -0.000 local terms energy: -69.045451 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -14.651 flat angles P-C4'-P energy: -11.127 tors. eta vs tors. theta energy: -18.825 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: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -199.129600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.129600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.129600 (E_RNA) where: Base-Base interactions energy: -135.581 where: short stacking energy: -61.954 Base-Backbone interact. energy: -0.071 local terms energy: -63.478253 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -15.002 flat angles C4'-P-C4' energy: -11.589 flat angles P-C4'-P energy: -2.791 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: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -199.150509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.150509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.150509 (E_RNA) where: Base-Base interactions energy: -134.421 where: short stacking energy: -62.473 Base-Backbone interact. energy: -0.011 local terms energy: -64.718385 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -16.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -192.537104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.537104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.537104 (E_RNA) where: Base-Base interactions energy: -127.654 where: short stacking energy: -57.082 Base-Backbone interact. energy: -0.005 local terms energy: -64.878681 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -9.127 tors. eta vs tors. theta energy: -17.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -114.095836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.095836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.095836 (E_RNA) where: Base-Base interactions energy: -64.754 where: short stacking energy: -34.593 Base-Backbone interact. energy: -0.141 local terms energy: -49.200819 where: bonds (distance) C4'-P energy: -15.343 bonds (distance) P-C4' energy: -14.334 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -6.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -123.852749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.852749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.852749 (E_RNA) where: Base-Base interactions energy: -72.989 where: short stacking energy: -44.510 Base-Backbone interact. energy: -0.129 local terms energy: -50.734639 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -10.665 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -9.532 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: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -73.691848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.691848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.691848 (E_RNA) where: Base-Base interactions energy: -36.727 where: short stacking energy: -36.654 Base-Backbone interact. energy: -0.325 local terms energy: -36.640196 where: bonds (distance) C4'-P energy: -9.315 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: 0.465 tors. eta vs tors. theta energy: -3.748 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: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -76.393686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.393686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.393686 (E_RNA) where: Base-Base interactions energy: -32.101 where: short stacking energy: -18.555 Base-Backbone interact. energy: -0.558 local terms energy: -43.734533 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -220.456273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.456273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.456273 (E_RNA) where: Base-Base interactions energy: -150.289 where: short stacking energy: -65.044 Base-Backbone interact. energy: -0.000 local terms energy: -70.166583 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -14.220 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -16.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -215.360626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.360626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.360626 (E_RNA) where: Base-Base interactions energy: -143.509 where: short stacking energy: -65.007 Base-Backbone interact. energy: -0.239 local terms energy: -71.612198 where: bonds (distance) C4'-P energy: -15.232 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -17.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -202.984214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.984214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.984214 (E_RNA) where: Base-Base interactions energy: -137.172 where: short stacking energy: -60.362 Base-Backbone interact. energy: -0.130 local terms energy: -65.682635 where: bonds (distance) C4'-P energy: -16.018 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -11.663 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -16.517 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: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -212.587265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.587265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.587265 (E_RNA) where: Base-Base interactions energy: -141.863 where: short stacking energy: -60.698 Base-Backbone interact. energy: -0.004 local terms energy: -70.720115 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -16.107 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -200.275514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.275514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.275514 (E_RNA) where: Base-Base interactions energy: -129.267 where: short stacking energy: -55.513 Base-Backbone interact. energy: 2.154 local terms energy: -73.162622 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -15.196 flat angles P-C4'-P energy: -12.451 tors. eta vs tors. theta energy: -16.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -194.368508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.368508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.368508 (E_RNA) where: Base-Base interactions energy: -129.990 where: short stacking energy: -64.827 Base-Backbone interact. energy: -0.036 local terms energy: -64.342103 where: bonds (distance) C4'-P energy: -15.305 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -16.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -148.349221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.349221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.349221 (E_RNA) where: Base-Base interactions energy: -90.207 where: short stacking energy: -53.252 Base-Backbone interact. energy: -0.461 local terms energy: -57.681049 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -12.027 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: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -113.451245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.451245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.451245 (E_RNA) where: Base-Base interactions energy: -61.414 where: short stacking energy: -31.130 Base-Backbone interact. energy: -0.036 local terms energy: -52.001621 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -82.500566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.500566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.500566 (E_RNA) where: Base-Base interactions energy: -42.366 where: short stacking energy: -35.603 Base-Backbone interact. energy: 0.055 local terms energy: -40.189236 where: bonds (distance) C4'-P energy: -8.221 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -9.128 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -6.702 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: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -73.343436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.343436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.343436 (E_RNA) where: Base-Base interactions energy: -27.740 where: short stacking energy: -27.740 Base-Backbone interact. energy: -0.161 local terms energy: -45.442917 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -4.195 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: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -220.212085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.212085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.212085 (E_RNA) where: Base-Base interactions energy: -148.703 where: short stacking energy: -62.584 Base-Backbone interact. energy: -0.306 local terms energy: -71.202280 where: bonds (distance) C4'-P energy: -11.886 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -15.472 flat angles P-C4'-P energy: -9.918 tors. eta vs tors. theta energy: -17.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -220.465393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.465393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.465393 (E_RNA) where: Base-Base interactions energy: -147.891 where: short stacking energy: -63.767 Base-Backbone interact. energy: -0.003 local terms energy: -72.570880 where: bonds (distance) C4'-P energy: -13.675 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -15.439 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -21.104 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: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -198.895398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.895398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.895398 (E_RNA) where: Base-Base interactions energy: -134.881 where: short stacking energy: -64.469 Base-Backbone interact. energy: -0.595 local terms energy: -63.419961 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -16.145 flat angles C4'-P-C4' energy: -8.804 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -18.287 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: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -198.760001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.760001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.760001 (E_RNA) where: Base-Base interactions energy: -132.571 where: short stacking energy: -60.416 Base-Backbone interact. energy: -0.297 local terms energy: -65.891885 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -10.173 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -16.694 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: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -206.356046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.356046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.356046 (E_RNA) where: Base-Base interactions energy: -142.818 where: short stacking energy: -60.323 Base-Backbone interact. energy: -0.280 local terms energy: -63.258264 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -14.971 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -16.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -193.850589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.850589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.850589 (E_RNA) where: Base-Base interactions energy: -129.621 where: short stacking energy: -58.293 Base-Backbone interact. energy: -0.582 local terms energy: -63.647093 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -11.584 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -126.176062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.176062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.176062 (E_RNA) where: Base-Base interactions energy: -74.626 where: short stacking energy: -44.655 Base-Backbone interact. energy: -0.104 local terms energy: -51.446253 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -8.543 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: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -120.235794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.235794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.235794 (E_RNA) where: Base-Base interactions energy: -64.250 where: short stacking energy: -36.611 Base-Backbone interact. energy: -0.032 local terms energy: -55.954042 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -81.583411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.583411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.583411 (E_RNA) where: Base-Base interactions energy: -31.749 where: short stacking energy: -29.960 Base-Backbone interact. energy: 0.834 local terms energy: -50.668525 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -9.082 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -66.035971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.035971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.035971 (E_RNA) where: Base-Base interactions energy: -24.307 where: short stacking energy: -24.307 Base-Backbone interact. energy: -0.016 local terms energy: -41.713101 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -228.949317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.949317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.949317 (E_RNA) where: Base-Base interactions energy: -151.837 where: short stacking energy: -69.529 Base-Backbone interact. energy: -0.400 local terms energy: -76.712472 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -15.283 flat angles P-C4'-P energy: -12.367 tors. eta vs tors. theta energy: -20.576 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: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -218.701322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.701322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.701322 (E_RNA) where: Base-Base interactions energy: -148.798 where: short stacking energy: -65.425 Base-Backbone interact. energy: -0.376 local terms energy: -69.527629 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -14.383 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -10.886 tors. eta vs tors. theta energy: -17.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -204.331607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.331607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.331607 (E_RNA) where: Base-Base interactions energy: -132.338 where: short stacking energy: -64.737 Base-Backbone interact. energy: -0.006 local terms energy: -71.987698 where: bonds (distance) C4'-P energy: -15.579 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -14.638 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -18.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -201.895005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.895005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.895005 (E_RNA) where: Base-Base interactions energy: -133.656 where: short stacking energy: -61.398 Base-Backbone interact. energy: -0.125 local terms energy: -68.113698 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -18.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -187.308005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.308005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.308005 (E_RNA) where: Base-Base interactions energy: -122.894 where: short stacking energy: -55.938 Base-Backbone interact. energy: -0.250 local terms energy: -64.163226 where: bonds (distance) C4'-P energy: -14.308 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -14.432 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: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -199.288695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.288695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.288695 (E_RNA) where: Base-Base interactions energy: -141.661 where: short stacking energy: -56.476 Base-Backbone interact. energy: -0.119 local terms energy: -57.508876 where: bonds (distance) C4'-P energy: -9.000 bonds (distance) P-C4' energy: -12.513 flat angles C4'-P-C4' energy: -12.174 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -15.081 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: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -128.841108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.841108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.841108 (E_RNA) where: Base-Base interactions energy: -71.705 where: short stacking energy: -45.814 Base-Backbone interact. energy: 2.468 local terms energy: -59.605028 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -13.306 tors. eta vs tors. theta energy: -5.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -103.726230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.726230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.726230 (E_RNA) where: Base-Base interactions energy: -53.820 where: short stacking energy: -28.552 Base-Backbone interact. energy: 0.427 local terms energy: -50.332853 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -10.610 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -77.861711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.861711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.861711 (E_RNA) where: Base-Base interactions energy: -31.949 where: short stacking energy: -31.949 Base-Backbone interact. energy: -0.031 local terms energy: -45.881465 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -9.085 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -70.735540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.735540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.735540 (E_RNA) where: Base-Base interactions energy: -24.579 where: short stacking energy: -24.579 Base-Backbone interact. energy: -0.082 local terms energy: -46.074450 where: bonds (distance) C4'-P energy: -14.879 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -222.513503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.513503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.513503 (E_RNA) where: Base-Base interactions energy: -149.500 where: short stacking energy: -62.563 Base-Backbone interact. energy: -0.970 local terms energy: -72.043890 where: bonds (distance) C4'-P energy: -15.423 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -15.130 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -19.688 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: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -222.837458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.837458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.837458 (E_RNA) where: Base-Base interactions energy: -148.157 where: short stacking energy: -66.685 Base-Backbone interact. energy: -0.010 local terms energy: -74.670734 where: bonds (distance) C4'-P energy: -15.877 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -20.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -203.507055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.507055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.507055 (E_RNA) where: Base-Base interactions energy: -135.868 where: short stacking energy: -63.370 Base-Backbone interact. energy: -0.013 local terms energy: -67.626245 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -16.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -209.802691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.802691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.802691 (E_RNA) where: Base-Base interactions energy: -138.948 where: short stacking energy: -64.694 Base-Backbone interact. energy: -0.612 local terms energy: -70.242596 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -19.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -208.807842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.807842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.807842 (E_RNA) where: Base-Base interactions energy: -135.505 where: short stacking energy: -60.231 Base-Backbone interact. energy: -0.511 local terms energy: -72.792396 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -18.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -202.849325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.849325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.849325 (E_RNA) where: Base-Base interactions energy: -140.649 where: short stacking energy: -58.087 Base-Backbone interact. energy: -0.001 local terms energy: -62.199452 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -11.296 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -15.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -120.935742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.935742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.935742 (E_RNA) where: Base-Base interactions energy: -68.181 where: short stacking energy: -41.015 Base-Backbone interact. energy: -0.135 local terms energy: -52.619760 where: bonds (distance) C4'-P energy: -10.057 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -8.102 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: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -91.678301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.678301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.678301 (E_RNA) where: Base-Base interactions energy: -35.810 where: short stacking energy: -22.346 Base-Backbone interact. energy: 1.795 local terms energy: -57.663706 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -11.527 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -8.584 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: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -77.423884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.423884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.423884 (E_RNA) where: Base-Base interactions energy: -32.726 where: short stacking energy: -31.925 Base-Backbone interact. energy: -0.240 local terms energy: -44.457796 where: bonds (distance) C4'-P energy: -14.436 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -4.422 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: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -74.453620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.453620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.453620 (E_RNA) where: Base-Base interactions energy: -22.532 where: short stacking energy: -19.368 Base-Backbone interact. energy: -0.372 local terms energy: -51.549476 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -16.655 flat angles C4'-P-C4' energy: -15.344 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: 1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -224.882391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.882391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.882391 (E_RNA) where: Base-Base interactions energy: -150.100 where: short stacking energy: -67.967 Base-Backbone interact. energy: -0.010 local terms energy: -74.772646 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -15.695 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -21.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -218.410645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.410645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.410645 (E_RNA) where: Base-Base interactions energy: -148.430 where: short stacking energy: -66.578 Base-Backbone interact. energy: -0.044 local terms energy: -69.937532 where: bonds (distance) C4'-P energy: -12.051 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -12.642 tors. eta vs tors. theta energy: -16.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -202.809683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.809683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.809683 (E_RNA) where: Base-Base interactions energy: -136.170 where: short stacking energy: -66.045 Base-Backbone interact. energy: -0.225 local terms energy: -66.415355 where: bonds (distance) C4'-P energy: -10.896 bonds (distance) P-C4' energy: -10.045 flat angles C4'-P-C4' energy: -15.976 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -18.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -201.497812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.497812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.497812 (E_RNA) where: Base-Base interactions energy: -133.344 where: short stacking energy: -62.347 Base-Backbone interact. energy: -0.029 local terms energy: -68.124985 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -14.902 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -18.285 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: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -213.455603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.455603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.455603 (E_RNA) where: Base-Base interactions energy: -145.339 where: short stacking energy: -60.276 Base-Backbone interact. energy: -0.647 local terms energy: -67.470028 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -17.609 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: 6, replica: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -194.632391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.632391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.632391 (E_RNA) where: Base-Base interactions energy: -136.976 where: short stacking energy: -54.783 Base-Backbone interact. energy: -0.025 local terms energy: -57.631491 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -12.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -120.259390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.259390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.259390 (E_RNA) where: Base-Base interactions energy: -71.185 where: short stacking energy: -34.410 Base-Backbone interact. energy: -0.029 local terms energy: -49.045439 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -15.332 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -6.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -96.324937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.324937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.324937 (E_RNA) where: Base-Base interactions energy: -62.795 where: short stacking energy: -39.968 Base-Backbone interact. energy: -0.103 local terms energy: -33.427281 where: bonds (distance) C4'-P energy: -6.491 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -10.152 flat angles P-C4'-P energy: -0.013 tors. eta vs tors. theta energy: -3.933 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: 46 Temperature: 1.300000 Total energy: -119.754729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.754729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.754729 (E_RNA) where: Base-Base interactions energy: -68.941 where: short stacking energy: -35.453 Base-Backbone interact. energy: 0.657 local terms energy: -51.470340 where: bonds (distance) C4'-P energy: -15.547 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -8.937 tors. eta vs tors. theta energy: -1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -71.374829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.374829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.374829 (E_RNA) where: Base-Base interactions energy: -22.869 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.179 local terms energy: -48.327044 where: bonds (distance) C4'-P energy: -15.146 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -220.682465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.682465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.682465 (E_RNA) where: Base-Base interactions energy: -145.182 where: short stacking energy: -64.414 Base-Backbone interact. energy: -0.104 local terms energy: -75.396586 where: bonds (distance) C4'-P energy: -16.469 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -17.403 flat angles P-C4'-P energy: -11.341 tors. eta vs tors. theta energy: -19.086 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: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -203.901584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.901584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.901584 (E_RNA) where: Base-Base interactions energy: -139.589 where: short stacking energy: -60.777 Base-Backbone interact. energy: -0.041 local terms energy: -64.271914 where: bonds (distance) C4'-P energy: -10.723 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -221.986515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.986515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.986515 (E_RNA) where: Base-Base interactions energy: -146.792 where: short stacking energy: -61.490 Base-Backbone interact. energy: -0.317 local terms energy: -74.877211 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -13.021 tors. eta vs tors. theta energy: -21.273 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: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -215.486307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.486307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.486307 (E_RNA) where: Base-Base interactions energy: -146.916 where: short stacking energy: -66.931 Base-Backbone interact. energy: -0.406 local terms energy: -68.164805 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -9.228 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: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -198.441431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.441431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.441431 (E_RNA) where: Base-Base interactions energy: -131.156 where: short stacking energy: -59.263 Base-Backbone interact. energy: -0.064 local terms energy: -67.221376 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -15.883 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -16.350 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: 47 Temperature: 1.150000 Total energy: -194.931308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.931308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.931308 (E_RNA) where: Base-Base interactions energy: -125.452 where: short stacking energy: -52.582 Base-Backbone interact. energy: -0.016 local terms energy: -69.462874 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -17.894 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: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -131.322184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.322184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.322184 (E_RNA) where: Base-Base interactions energy: -83.428 where: short stacking energy: -33.312 Base-Backbone interact. energy: 0.607 local terms energy: -48.501562 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -7.268 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: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -130.497911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.497911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.497911 (E_RNA) where: Base-Base interactions energy: -79.048 where: short stacking energy: -40.105 Base-Backbone interact. energy: -0.085 local terms energy: -51.365451 where: bonds (distance) C4'-P energy: -11.319 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -9.972 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -82.918066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.918066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.918066 (E_RNA) where: Base-Base interactions energy: -37.941 where: short stacking energy: -37.941 Base-Backbone interact. energy: 0.230 local terms energy: -45.207288 where: bonds (distance) C4'-P energy: -9.116 bonds (distance) P-C4' energy: -8.560 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -6.699 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: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -90.956196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.956196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.956196 (E_RNA) where: Base-Base interactions energy: -44.275 where: short stacking energy: -22.456 Base-Backbone interact. energy: -0.258 local terms energy: -46.423876 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -4.242 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -213.391371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.391371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.391371 (E_RNA) where: Base-Base interactions energy: -138.279 where: short stacking energy: -64.316 Base-Backbone interact. energy: -0.362 local terms energy: -74.750539 where: bonds (distance) C4'-P energy: -16.490 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -10.164 tors. eta vs tors. theta energy: -19.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -221.083651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.083651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.083651 (E_RNA) where: Base-Base interactions energy: -145.838 where: short stacking energy: -64.250 Base-Backbone interact. energy: -0.029 local terms energy: -75.216732 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -15.412 flat angles P-C4'-P energy: -12.707 tors. eta vs tors. theta energy: -20.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -214.141365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.141365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.141365 (E_RNA) where: Base-Base interactions energy: -141.468 where: short stacking energy: -64.612 Base-Backbone interact. energy: -0.001 local terms energy: -72.672206 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -10.355 tors. eta vs tors. theta energy: -19.031 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: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -206.117682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.117682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.117682 (E_RNA) where: Base-Base interactions energy: -141.367 where: short stacking energy: -62.796 Base-Backbone interact. energy: -0.004 local terms energy: -64.746717 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -10.782 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -19.783 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: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -201.277538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.277538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.277538 (E_RNA) where: Base-Base interactions energy: -134.914 where: short stacking energy: -59.672 Base-Backbone interact. energy: -0.143 local terms energy: -66.221058 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -10.527 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -19.435 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: 6, replica: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -185.275551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.275551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.275551 (E_RNA) where: Base-Base interactions energy: -121.849 where: short stacking energy: -59.099 Base-Backbone interact. energy: -0.163 local terms energy: -63.263634 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -17.877 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: 48 Temperature: 1.200000 Total energy: -124.607044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.607044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.607044 (E_RNA) where: Base-Base interactions energy: -72.740 where: short stacking energy: -39.855 Base-Backbone interact. energy: -0.187 local terms energy: -51.680601 where: bonds (distance) C4'-P energy: -9.704 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -8.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -155.693813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.693813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.693813 (E_RNA) where: Base-Base interactions energy: -108.951 where: short stacking energy: -43.768 Base-Backbone interact. energy: -0.198 local terms energy: -46.544512 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -66.666615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.666615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.666615 (E_RNA) where: Base-Base interactions energy: -22.735 where: short stacking energy: -18.722 Base-Backbone interact. energy: -1.085 local terms energy: -42.847278 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -12.871 flat angles C4'-P-C4' energy: -10.981 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: 0.131 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: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -73.651329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.651329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.651329 (E_RNA) where: Base-Base interactions energy: -35.495 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.238 local terms energy: -37.918425 where: bonds (distance) C4'-P energy: -9.479 bonds (distance) P-C4' energy: -12.642 flat angles C4'-P-C4' energy: -10.105 flat angles P-C4'-P energy: -7.827 tors. eta vs tors. theta energy: 2.134 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: 49 Temperature: 0.900000 Total energy: -208.273030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.273030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.273030 (E_RNA) where: Base-Base interactions energy: -139.383 where: short stacking energy: -68.335 Base-Backbone interact. energy: -0.008 local terms energy: -68.881919 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -8.853 tors. eta vs tors. theta energy: -18.426 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: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -214.142991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.142991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.142991 (E_RNA) where: Base-Base interactions energy: -149.049 where: short stacking energy: -64.820 Base-Backbone interact. energy: -0.045 local terms energy: -65.049496 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -16.007 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -19.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -218.682511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.682511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.682511 (E_RNA) where: Base-Base interactions energy: -147.036 where: short stacking energy: -61.643 Base-Backbone interact. energy: -0.129 local terms energy: -71.516736 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -14.028 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -18.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -212.184282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.184282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.184282 (E_RNA) where: Base-Base interactions energy: -148.969 where: short stacking energy: -65.752 Base-Backbone interact. energy: -0.212 local terms energy: -63.003880 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -21.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -197.456231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.456231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.456231 (E_RNA) where: Base-Base interactions energy: -123.187 where: short stacking energy: -54.457 Base-Backbone interact. energy: -0.666 local terms energy: -73.603442 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -17.140 flat angles C4'-P-C4' energy: -16.093 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -15.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -168.800054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.800054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.800054 (E_RNA) where: Base-Base interactions energy: -107.397 where: short stacking energy: -54.664 Base-Backbone interact. energy: -0.278 local terms energy: -61.126027 where: bonds (distance) C4'-P energy: -10.292 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -15.517 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: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -127.661456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.661456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.661456 (E_RNA) where: Base-Base interactions energy: -71.946 where: short stacking energy: -44.635 Base-Backbone interact. energy: 1.666 local terms energy: -57.381659 where: bonds (distance) C4'-P energy: -11.042 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -11.014 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -10.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -77.318937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.318937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.318937 (E_RNA) where: Base-Base interactions energy: -28.488 where: short stacking energy: -28.488 Base-Backbone interact. energy: -0.032 local terms energy: -48.798965 where: bonds (distance) C4'-P energy: -10.809 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -10.426 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -8.611 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: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -164.192308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.192308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.192308 (E_RNA) where: Base-Base interactions energy: -116.704 where: short stacking energy: -41.776 Base-Backbone interact. energy: 0.038 local terms energy: -47.526284 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -11.499 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -78.711667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.711667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.711667 (E_RNA) where: Base-Base interactions energy: -28.933 where: short stacking energy: -28.933 Base-Backbone interact. energy: -0.185 local terms energy: -49.593016 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -11.058 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -227.282576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.282576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.282576 (E_RNA) where: Base-Base interactions energy: -154.079 where: short stacking energy: -67.297 Base-Backbone interact. energy: -0.006 local terms energy: -73.196798 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -11.478 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: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -212.510563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.510563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.510563 (E_RNA) where: Base-Base interactions energy: -141.575 where: short stacking energy: -65.894 Base-Backbone interact. energy: -0.001 local terms energy: -70.934493 where: bonds (distance) C4'-P energy: -14.000 bonds (distance) P-C4' energy: -15.236 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -10.060 tors. eta vs tors. theta energy: -18.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -212.844736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.844736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.844736 (E_RNA) where: Base-Base interactions energy: -146.288 where: short stacking energy: -65.669 Base-Backbone interact. energy: -0.002 local terms energy: -66.554624 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -9.378 tors. eta vs tors. theta energy: -17.283 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: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -211.024389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.024389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.024389 (E_RNA) where: Base-Base interactions energy: -151.164 where: short stacking energy: -65.221 Base-Backbone interact. energy: 0.271 local terms energy: -60.132270 where: bonds (distance) C4'-P energy: -6.169 bonds (distance) P-C4' energy: -10.685 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -11.454 tors. eta vs tors. theta energy: -17.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -185.803592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.803592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.803592 (E_RNA) where: Base-Base interactions energy: -119.770 where: short stacking energy: -53.071 Base-Backbone interact. energy: -0.012 local terms energy: -66.021595 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -14.692 flat angles P-C4'-P energy: -10.135 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: 6, replica: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -158.991132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.991132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.991132 (E_RNA) where: Base-Base interactions energy: -99.193 where: short stacking energy: -51.301 Base-Backbone interact. energy: -0.164 local terms energy: -59.634369 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -13.728 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -11.424 tors. eta vs tors. theta energy: -13.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -88.635849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.635849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.635849 (E_RNA) where: Base-Base interactions energy: -40.412 where: short stacking energy: -29.508 Base-Backbone interact. energy: -0.497 local terms energy: -47.726404 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -6.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -89.740470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.740470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.740470 (E_RNA) where: Base-Base interactions energy: -44.036 where: short stacking energy: -42.568 Base-Backbone interact. energy: -0.024 local terms energy: -45.680819 where: bonds (distance) C4'-P energy: -5.700 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -12.036 flat angles P-C4'-P energy: -7.562 tors. eta vs tors. theta energy: -8.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -155.365245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.365245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.365245 (E_RNA) where: Base-Base interactions energy: -108.196 where: short stacking energy: -41.342 Base-Backbone interact. energy: -0.551 local terms energy: -46.617804 where: bonds (distance) C4'-P energy: -7.033 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -13.289 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -9.627 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: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -67.799285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.799285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.799285 (E_RNA) where: Base-Base interactions energy: -23.668 where: short stacking energy: -17.824 Base-Backbone interact. energy: -0.180 local terms energy: -43.951947 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -9.897 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: 2.387 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: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -222.159522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.159522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.159522 (E_RNA) where: Base-Base interactions energy: -151.012 where: short stacking energy: -67.924 Base-Backbone interact. energy: -0.031 local terms energy: -71.116852 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -19.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -211.760834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.760834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.760834 (E_RNA) where: Base-Base interactions energy: -141.222 where: short stacking energy: -66.323 Base-Backbone interact. energy: -0.116 local terms energy: -70.422764 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -14.487 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -10.017 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: 3, replica: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -217.439674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.439674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.439674 (E_RNA) where: Base-Base interactions energy: -149.262 where: short stacking energy: -67.031 Base-Backbone interact. energy: -1.865 local terms energy: -66.312885 where: bonds (distance) C4'-P energy: -10.342 bonds (distance) P-C4' energy: -10.176 flat angles C4'-P-C4' energy: -16.064 flat angles P-C4'-P energy: -9.636 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: 4, replica: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -208.453400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.453400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.453400 (E_RNA) where: Base-Base interactions energy: -142.224 where: short stacking energy: -60.711 Base-Backbone interact. energy: -0.015 local terms energy: -66.214284 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -10.270 tors. eta vs tors. theta energy: -17.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -196.448449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.448449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.448449 (E_RNA) where: Base-Base interactions energy: -127.716 where: short stacking energy: -58.114 Base-Backbone interact. energy: -0.400 local terms energy: -68.332325 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -15.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -171.580812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.580812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.580812 (E_RNA) where: Base-Base interactions energy: -110.886 where: short stacking energy: -55.779 Base-Backbone interact. energy: -0.023 local terms energy: -60.671517 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -11.829 flat angles C4'-P-C4' energy: -14.024 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -13.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -86.248501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.248501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.248501 (E_RNA) where: Base-Base interactions energy: -34.045 where: short stacking energy: -31.807 Base-Backbone interact. energy: -0.104 local terms energy: -52.099670 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -7.613 tors. eta vs tors. theta energy: -3.816 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: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -159.452866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.452866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.452866 (E_RNA) where: Base-Base interactions energy: -110.226 where: short stacking energy: -47.164 Base-Backbone interact. energy: -0.285 local terms energy: -48.942399 where: bonds (distance) C4'-P energy: -7.999 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -69.763415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.763415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.763415 (E_RNA) where: Base-Base interactions energy: -32.987 where: short stacking energy: -20.194 Base-Backbone interact. energy: 1.467 local terms energy: -38.242858 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: 2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -65.762790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.762790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.762790 (E_RNA) where: Base-Base interactions energy: -16.743 where: short stacking energy: -16.374 Base-Backbone interact. energy: -1.133 local terms energy: -47.886082 where: bonds (distance) C4'-P energy: -10.589 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -215.236317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.236317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.236317 (E_RNA) where: Base-Base interactions energy: -142.253 where: short stacking energy: -68.293 Base-Backbone interact. energy: -0.001 local terms energy: -72.981782 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -13.044 tors. eta vs tors. theta energy: -18.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -219.734650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.734650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.734650 (E_RNA) where: Base-Base interactions energy: -154.367 where: short stacking energy: -69.773 Base-Backbone interact. energy: -0.169 local terms energy: -65.198668 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -11.482 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -9.405 tors. eta vs tors. theta energy: -17.901 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: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -211.895214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.895214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.895214 (E_RNA) where: Base-Base interactions energy: -145.475 where: short stacking energy: -63.044 Base-Backbone interact. energy: -0.790 local terms energy: -65.631116 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -17.503 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: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -193.053561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.053561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.053561 (E_RNA) where: Base-Base interactions energy: -144.716 where: short stacking energy: -54.966 Base-Backbone interact. energy: -0.180 local terms energy: -48.156978 where: bonds (distance) C4'-P energy: -9.714 bonds (distance) P-C4' energy: -12.023 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -8.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -171.749983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.749983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.749983 (E_RNA) where: Base-Base interactions energy: -108.026 where: short stacking energy: -40.997 Base-Backbone interact. energy: -0.039 local terms energy: -63.684928 where: bonds (distance) C4'-P energy: -15.617 bonds (distance) P-C4' energy: -13.122 flat angles C4'-P-C4' energy: -9.725 flat angles P-C4'-P energy: -10.902 tors. eta vs tors. theta energy: -14.319 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: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -180.222482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.222482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.222482 (E_RNA) where: Base-Base interactions energy: -121.492 where: short stacking energy: -52.788 Base-Backbone interact. energy: 0.013 local terms energy: -58.743341 where: bonds (distance) C4'-P energy: -11.188 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -16.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -176.637591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.637591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.637591 (E_RNA) where: Base-Base interactions energy: -115.038 where: short stacking energy: -46.745 Base-Backbone interact. energy: -0.141 local terms energy: -61.459235 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -11.479 tors. eta vs tors. theta energy: -10.889 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: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -75.852210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.852210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.852210 (E_RNA) where: Base-Base interactions energy: -32.131 where: short stacking energy: -32.431 Base-Backbone interact. energy: -0.035 local terms energy: -43.686231 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -80.102290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.102290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.102290 (E_RNA) where: Base-Base interactions energy: -32.864 where: short stacking energy: -26.035 Base-Backbone interact. energy: 0.501 local terms energy: -47.739658 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -11.331 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -67.632162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.632162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.632162 (E_RNA) where: Base-Base interactions energy: -28.907 where: short stacking energy: -20.712 Base-Backbone interact. energy: -0.215 local terms energy: -38.510852 where: bonds (distance) C4'-P energy: -12.506 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -0.026 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: 53 Temperature: 0.900000 Total energy: -213.401436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.401436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.401436 (E_RNA) where: Base-Base interactions energy: -144.521 where: short stacking energy: -64.871 Base-Backbone interact. energy: -0.066 local terms energy: -68.813597 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -11.825 flat angles C4'-P-C4' energy: -13.706 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -18.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -220.095087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.095087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.095087 (E_RNA) where: Base-Base interactions energy: -148.545 where: short stacking energy: -65.199 Base-Backbone interact. energy: -0.001 local terms energy: -71.548619 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -14.941 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -19.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -218.521489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.521489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.521489 (E_RNA) where: Base-Base interactions energy: -155.033 where: short stacking energy: -62.782 Base-Backbone interact. energy: -0.472 local terms energy: -63.017079 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -16.107 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -19.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -198.624985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.624985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.624985 (E_RNA) where: Base-Base interactions energy: -133.697 where: short stacking energy: -56.958 Base-Backbone interact. energy: -0.271 local terms energy: -64.657835 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -11.415 tors. eta vs tors. theta energy: -10.110 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: 5, replica: 1 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -184.265222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.265222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.265222 (E_RNA) where: Base-Base interactions energy: -120.073 where: short stacking energy: -55.621 Base-Backbone interact. energy: -0.021 local terms energy: -64.171065 where: bonds (distance) C4'-P energy: -11.311 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -9.743 flat angles P-C4'-P energy: -12.443 tors. eta vs tors. theta energy: -16.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -173.092387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.092387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.092387 (E_RNA) where: Base-Base interactions energy: -120.236 where: short stacking energy: -52.380 Base-Backbone interact. energy: -0.003 local terms energy: -52.853518 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -6.516 flat angles C4'-P-C4' energy: -11.256 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -11.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -192.080958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.080958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.080958 (E_RNA) where: Base-Base interactions energy: -126.691 where: short stacking energy: -53.800 Base-Backbone interact. energy: 0.198 local terms energy: -65.587837 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -10.550 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -12.330 tors. eta vs tors. theta energy: -15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -73.326490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.326490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.326490 (E_RNA) where: Base-Base interactions energy: -30.575 where: short stacking energy: -30.575 Base-Backbone interact. energy: -0.108 local terms energy: -42.643421 where: bonds (distance) C4'-P energy: -9.265 bonds (distance) P-C4' energy: -9.872 flat angles C4'-P-C4' energy: -9.473 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -7.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -75.173828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.173828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.173828 (E_RNA) where: Base-Base interactions energy: -29.743 where: short stacking energy: -29.178 Base-Backbone interact. energy: -0.086 local terms energy: -45.344736 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -10.450 flat angles C4'-P-C4' energy: -9.753 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -4.310 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: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -67.467634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.467634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.467634 (E_RNA) where: Base-Base interactions energy: -29.379 where: short stacking energy: -29.379 Base-Backbone interact. energy: 3.700 local terms energy: -41.787911 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -10.348 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -218.451916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.451916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.451916 (E_RNA) where: Base-Base interactions energy: -148.063 where: short stacking energy: -64.692 Base-Backbone interact. energy: -0.130 local terms energy: -70.259071 where: bonds (distance) C4'-P energy: -13.799 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -18.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -210.812239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.812239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.812239 (E_RNA) where: Base-Base interactions energy: -138.382 where: short stacking energy: -66.376 Base-Backbone interact. energy: 0.767 local terms energy: -73.197557 where: bonds (distance) C4'-P energy: -15.116 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -19.562 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: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -215.566570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.566570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.566570 (E_RNA) where: Base-Base interactions energy: -145.454 where: short stacking energy: -60.807 Base-Backbone interact. energy: 0.020 local terms energy: -70.132843 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -20.088 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: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -211.690844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.690844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.690844 (E_RNA) where: Base-Base interactions energy: -148.359 where: short stacking energy: -69.123 Base-Backbone interact. energy: -0.001 local terms energy: -63.330468 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -14.223 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -10.258 tors. eta vs tors. theta energy: -17.491 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: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -202.127910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.127910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.127910 (E_RNA) where: Base-Base interactions energy: -140.459 where: short stacking energy: -58.205 Base-Backbone interact. energy: -0.262 local terms energy: -61.407017 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -14.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -177.465949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.465949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.465949 (E_RNA) where: Base-Base interactions energy: -110.016 where: short stacking energy: -59.363 Base-Backbone interact. energy: -0.474 local terms energy: -66.976643 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -9.943 tors. eta vs tors. theta energy: -20.404 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: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -191.073810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.073810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.073810 (E_RNA) where: Base-Base interactions energy: -125.021 where: short stacking energy: -59.751 Base-Backbone interact. energy: -0.394 local terms energy: -65.658880 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -16.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -84.896521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.896521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.896521 (E_RNA) where: Base-Base interactions energy: -34.690 where: short stacking energy: -31.164 Base-Backbone interact. energy: -0.171 local terms energy: -50.035675 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -8.459 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -74.806732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.806732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.806732 (E_RNA) where: Base-Base interactions energy: -24.634 where: short stacking energy: -23.861 Base-Backbone interact. energy: -0.061 local terms energy: -50.111915 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -11.805 flat angles P-C4'-P energy: -7.201 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -80.328050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.328050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.328050 (E_RNA) where: Base-Base interactions energy: -33.065 where: short stacking energy: -27.209 Base-Backbone interact. energy: -0.128 local terms energy: -47.134824 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -3.130 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: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -220.743265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.743265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.743265 (E_RNA) where: Base-Base interactions energy: -151.298 where: short stacking energy: -66.810 Base-Backbone interact. energy: -0.048 local terms energy: -69.396842 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -15.112 flat angles P-C4'-P energy: -8.874 tors. eta vs tors. theta energy: -16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -216.430416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.430416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.430416 (E_RNA) where: Base-Base interactions energy: -143.227 where: short stacking energy: -62.088 Base-Backbone interact. energy: -0.002 local terms energy: -73.200937 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -11.349 tors. eta vs tors. theta energy: -19.298 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: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -204.227003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.227003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.227003 (E_RNA) where: Base-Base interactions energy: -139.371 where: short stacking energy: -59.223 Base-Backbone interact. energy: -0.168 local terms energy: -64.687480 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -11.990 tors. eta vs tors. theta energy: -15.487 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: 4, replica: 5 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -214.935729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.935729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.935729 (E_RNA) where: Base-Base interactions energy: -144.792 where: short stacking energy: -62.422 Base-Backbone interact. energy: -0.352 local terms energy: -69.791058 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -11.024 tors. eta vs tors. theta energy: -19.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -212.992193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.992193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.992193 (E_RNA) where: Base-Base interactions energy: -142.312 where: short stacking energy: -61.885 Base-Backbone interact. energy: -0.125 local terms energy: -70.554606 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -11.573 tors. eta vs tors. theta energy: -18.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -197.232622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.232622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.232622 (E_RNA) where: Base-Base interactions energy: -126.582 where: short stacking energy: -61.773 Base-Backbone interact. energy: -0.005 local terms energy: -70.646137 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -18.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -162.726847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.726847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.726847 (E_RNA) where: Base-Base interactions energy: -117.541 where: short stacking energy: -48.969 Base-Backbone interact. energy: -0.086 local terms energy: -45.100248 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -5.827 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -10.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -80.558011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.558011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.558011 (E_RNA) where: Base-Base interactions energy: -41.250 where: short stacking energy: -41.250 Base-Backbone interact. energy: -0.040 local terms energy: -39.267761 where: bonds (distance) C4'-P energy: -8.230 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -74.897527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.897527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.897527 (E_RNA) where: Base-Base interactions energy: -32.330 where: short stacking energy: -32.327 Base-Backbone interact. energy: 0.809 local terms energy: -43.376484 where: bonds (distance) C4'-P energy: -11.625 bonds (distance) P-C4' energy: -10.881 flat angles C4'-P-C4' energy: -10.047 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -70.911299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.911299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.911299 (E_RNA) where: Base-Base interactions energy: -28.468 where: short stacking energy: -24.873 Base-Backbone interact. energy: -0.041 local terms energy: -42.402036 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: 0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -214.913984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.913984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.913984 (E_RNA) where: Base-Base interactions energy: -144.347 where: short stacking energy: -63.518 Base-Backbone interact. energy: -0.095 local terms energy: -70.472366 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -11.834 tors. eta vs tors. theta energy: -17.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -218.548494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.548494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.548494 (E_RNA) where: Base-Base interactions energy: -147.638 where: short stacking energy: -65.128 Base-Backbone interact. energy: -0.101 local terms energy: -70.809330 where: bonds (distance) C4'-P energy: -13.841 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -18.805 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: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -216.462769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.462769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.462769 (E_RNA) where: Base-Base interactions energy: -145.003 where: short stacking energy: -64.024 Base-Backbone interact. energy: -0.007 local terms energy: -71.453435 where: bonds (distance) C4'-P energy: -11.022 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -19.759 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: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -203.896191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.896191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.896191 (E_RNA) where: Base-Base interactions energy: -135.437 where: short stacking energy: -62.843 Base-Backbone interact. energy: -0.004 local terms energy: -68.455144 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -11.590 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -16.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -200.081635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.081635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.081635 (E_RNA) where: Base-Base interactions energy: -134.233 where: short stacking energy: -63.107 Base-Backbone interact. energy: -0.006 local terms energy: -65.842824 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -16.263 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -18.038 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: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -200.502530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.502530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.502530 (E_RNA) where: Base-Base interactions energy: -140.062 where: short stacking energy: -56.625 Base-Backbone interact. energy: -0.004 local terms energy: -60.436068 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -11.054 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -15.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -172.413216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.413216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.413216 (E_RNA) where: Base-Base interactions energy: -115.369 where: short stacking energy: -50.884 Base-Backbone interact. energy: -0.671 local terms energy: -56.373471 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -9.851 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -11.853 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: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -74.644944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.644944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.644944 (E_RNA) where: Base-Base interactions energy: -29.241 where: short stacking energy: -23.034 Base-Backbone interact. energy: 1.022 local terms energy: -46.426375 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -10.163 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -72.902746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.902746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.902746 (E_RNA) where: Base-Base interactions energy: -28.228 where: short stacking energy: -28.228 Base-Backbone interact. energy: -0.165 local terms energy: -44.509879 where: bonds (distance) C4'-P energy: -8.130 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -11.102 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -1.662 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: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -60.727380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.727380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.727380 (E_RNA) where: Base-Base interactions energy: -18.819 where: short stacking energy: -13.881 Base-Backbone interact. energy: -0.076 local terms energy: -41.831969 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -9.033 flat angles C4'-P-C4' energy: -9.396 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: 0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -217.180402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.180402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.180402 (E_RNA) where: Base-Base interactions energy: -148.164 where: short stacking energy: -64.989 Base-Backbone interact. energy: -0.165 local terms energy: -68.850533 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -15.490 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -11.840 tors. eta vs tors. theta energy: -16.026 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: 5 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -215.352039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.352039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.352039 (E_RNA) where: Base-Base interactions energy: -145.875 where: short stacking energy: -66.638 Base-Backbone interact. energy: -1.649 local terms energy: -67.827496 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -9.575 tors. eta vs tors. theta energy: -18.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -221.631769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.631769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.631769 (E_RNA) where: Base-Base interactions energy: -151.471 where: short stacking energy: -67.482 Base-Backbone interact. energy: -0.030 local terms energy: -70.130371 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -11.864 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: 4, replica: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -196.418668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.418668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.418668 (E_RNA) where: Base-Base interactions energy: -127.171 where: short stacking energy: -57.694 Base-Backbone interact. energy: 0.673 local terms energy: -69.919849 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -17.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -195.247355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.247355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.247355 (E_RNA) where: Base-Base interactions energy: -137.388 where: short stacking energy: -64.056 Base-Backbone interact. energy: -0.007 local terms energy: -57.853075 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -10.195 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -10.817 tors. eta vs tors. theta energy: -18.079 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: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -204.222256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.222256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.222256 (E_RNA) where: Base-Base interactions energy: -139.349 where: short stacking energy: -61.249 Base-Backbone interact. energy: -0.002 local terms energy: -64.871725 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -15.957 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -14.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -178.594235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.594235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.594235 (E_RNA) where: Base-Base interactions energy: -121.972 where: short stacking energy: -56.780 Base-Backbone interact. energy: -0.445 local terms energy: -56.177396 where: bonds (distance) C4'-P energy: -9.008 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -11.262 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -16.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -81.144867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.144867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.144867 (E_RNA) where: Base-Base interactions energy: -35.862 where: short stacking energy: -26.539 Base-Backbone interact. energy: -0.194 local terms energy: -45.088697 where: bonds (distance) C4'-P energy: -11.118 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -10.952 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -2.510 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: 9, replica: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -89.669716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.669716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.669716 (E_RNA) where: Base-Base interactions energy: -49.251 where: short stacking energy: -21.219 Base-Backbone interact. energy: -0.471 local terms energy: -39.947912 where: bonds (distance) C4'-P energy: -13.362 bonds (distance) P-C4' energy: -11.283 flat angles C4'-P-C4' energy: -10.554 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: 1.036 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: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -78.648131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.648131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.648131 (E_RNA) where: Base-Base interactions energy: -37.491 where: short stacking energy: -26.630 Base-Backbone interact. energy: 1.159 local terms energy: -42.316161 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -11.382 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -221.793641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.793641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.793641 (E_RNA) where: Base-Base interactions energy: -153.762 where: short stacking energy: -67.848 Base-Backbone interact. energy: -0.003 local terms energy: -68.028481 where: bonds (distance) C4'-P energy: -14.424 bonds (distance) P-C4' energy: -9.906 flat angles C4'-P-C4' energy: -16.481 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -16.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -222.491916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.491916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.491916 (E_RNA) where: Base-Base interactions energy: -146.871 where: short stacking energy: -65.783 Base-Backbone interact. energy: -0.010 local terms energy: -75.610590 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -20.024 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: 9 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -204.470179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.470179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.470179 (E_RNA) where: Base-Base interactions energy: -135.263 where: short stacking energy: -62.939 Base-Backbone interact. energy: -0.943 local terms energy: -68.264103 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -15.203 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -8.128 tors. eta vs tors. theta energy: -17.193 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: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -211.837268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.837268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.837268 (E_RNA) where: Base-Base interactions energy: -145.316 where: short stacking energy: -61.927 Base-Backbone interact. energy: -0.260 local terms energy: -66.261008 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -11.924 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -18.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -205.796766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.796766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.796766 (E_RNA) where: Base-Base interactions energy: -138.870 where: short stacking energy: -64.627 Base-Backbone interact. energy: 2.799 local terms energy: -69.726290 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -14.762 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -17.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -180.720803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.720803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.720803 (E_RNA) where: Base-Base interactions energy: -117.558 where: short stacking energy: -50.879 Base-Backbone interact. energy: -0.037 local terms energy: -63.126394 where: bonds (distance) C4'-P energy: -15.273 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -12.746 flat angles P-C4'-P energy: -8.586 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: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -86.601654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.601654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.601654 (E_RNA) where: Base-Base interactions energy: -45.574 where: short stacking energy: -27.287 Base-Backbone interact. energy: 3.546 local terms energy: -44.573077 where: bonds (distance) C4'-P energy: -8.594 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -3.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -172.648472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.648472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.648472 (E_RNA) where: Base-Base interactions energy: -118.843 where: short stacking energy: -51.066 Base-Backbone interact. energy: -0.093 local terms energy: -53.712680 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -13.105 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -9.642 tors. eta vs tors. theta energy: -11.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -94.268991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.268991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.268991 (E_RNA) where: Base-Base interactions energy: -42.185 where: short stacking energy: -35.636 Base-Backbone interact. energy: -0.003 local terms energy: -52.080837 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -6.666 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -12.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -96.681967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.681967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.681967 (E_RNA) where: Base-Base interactions energy: -55.712 where: short stacking energy: -28.415 Base-Backbone interact. energy: -0.572 local terms energy: -40.398523 where: bonds (distance) C4'-P energy: -11.360 bonds (distance) P-C4' energy: -9.820 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -3.373 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: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -223.260038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.260038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.260038 (E_RNA) where: Base-Base interactions energy: -154.254 where: short stacking energy: -67.525 Base-Backbone interact. energy: -0.368 local terms energy: -68.638240 where: bonds (distance) C4'-P energy: -15.521 bonds (distance) P-C4' energy: -12.347 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -10.709 tors. eta vs tors. theta energy: -17.625 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: 5 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -217.823118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.823118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.823118 (E_RNA) where: Base-Base interactions energy: -147.198 where: short stacking energy: -60.555 Base-Backbone interact. energy: -0.077 local terms energy: -70.548192 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -12.802 tors. eta vs tors. theta energy: -17.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -205.523599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.523599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.523599 (E_RNA) where: Base-Base interactions energy: -141.949 where: short stacking energy: -65.813 Base-Backbone interact. energy: -0.099 local terms energy: -63.475386 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -13.742 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -18.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -201.520746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.520746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.520746 (E_RNA) where: Base-Base interactions energy: -140.941 where: short stacking energy: -59.020 Base-Backbone interact. energy: -0.267 local terms energy: -60.312797 where: bonds (distance) C4'-P energy: -13.265 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -12.484 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -13.263 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: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -200.397274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.397274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.397274 (E_RNA) where: Base-Base interactions energy: -138.028 where: short stacking energy: -54.447 Base-Backbone interact. energy: -0.939 local terms energy: -61.430446 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -13.577 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -18.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -198.355487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.355487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.355487 (E_RNA) where: Base-Base interactions energy: -132.548 where: short stacking energy: -59.558 Base-Backbone interact. energy: -0.086 local terms energy: -65.721838 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -17.719 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: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -93.060819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.060819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.060819 (E_RNA) where: Base-Base interactions energy: -45.494 where: short stacking energy: -45.494 Base-Backbone interact. energy: -0.163 local terms energy: -47.404097 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -8.568 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -7.746 tors. eta vs tors. theta energy: -3.554 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: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -176.703870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.703870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.703870 (E_RNA) where: Base-Base interactions energy: -118.180 where: short stacking energy: -52.045 Base-Backbone interact. energy: -0.018 local terms energy: -58.505629 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -9.356 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -13.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -86.195451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.195451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.195451 (E_RNA) where: Base-Base interactions energy: -34.618 where: short stacking energy: -18.298 Base-Backbone interact. energy: -0.254 local terms energy: -51.323338 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -4.890 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: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -108.377315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.377315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.377315 (E_RNA) where: Base-Base interactions energy: -64.049 where: short stacking energy: -34.266 Base-Backbone interact. energy: 0.150 local terms energy: -44.478770 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -8.163 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -221.479902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.479902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.479902 (E_RNA) where: Base-Base interactions energy: -149.807 where: short stacking energy: -64.619 Base-Backbone interact. energy: -0.791 local terms energy: -70.882718 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -11.767 tors. eta vs tors. theta energy: -17.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -219.977686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.977686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.977686 (E_RNA) where: Base-Base interactions energy: -146.253 where: short stacking energy: -66.687 Base-Backbone interact. energy: -0.049 local terms energy: -73.675697 where: bonds (distance) C4'-P energy: -15.758 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -16.028 flat angles P-C4'-P energy: -7.470 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: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -207.195414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.195414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.195414 (E_RNA) where: Base-Base interactions energy: -141.489 where: short stacking energy: -62.479 Base-Backbone interact. energy: -0.051 local terms energy: -65.655524 where: bonds (distance) C4'-P energy: -10.520 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -11.878 tors. eta vs tors. theta energy: -16.722 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: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -195.945460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.945460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.945460 (E_RNA) where: Base-Base interactions energy: -131.907 where: short stacking energy: -54.231 Base-Backbone interact. energy: -0.131 local terms energy: -63.907308 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -12.854 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -15.374 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: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -201.420190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.420190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.420190 (E_RNA) where: Base-Base interactions energy: -137.518 where: short stacking energy: -59.976 Base-Backbone interact. energy: -0.092 local terms energy: -63.809878 where: bonds (distance) C4'-P energy: -8.471 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -11.557 tors. eta vs tors. theta energy: -16.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -211.562548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.562548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.562548 (E_RNA) where: Base-Base interactions energy: -141.730 where: short stacking energy: -67.079 Base-Backbone interact. energy: -0.003 local terms energy: -69.829857 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -8.928 tors. eta vs tors. theta energy: -21.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -193.548664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.548664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.548664 (E_RNA) where: Base-Base interactions energy: -129.012 where: short stacking energy: -55.555 Base-Backbone interact. energy: -0.854 local terms energy: -63.682913 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -15.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -76.654061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.654061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.654061 (E_RNA) where: Base-Base interactions energy: -27.688 where: short stacking energy: -27.688 Base-Backbone interact. energy: -0.105 local terms energy: -48.861340 where: bonds (distance) C4'-P energy: -14.139 bonds (distance) P-C4' energy: -12.037 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -101.385585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.385585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.385585 (E_RNA) where: Base-Base interactions energy: -51.327 where: short stacking energy: -27.624 Base-Backbone interact. energy: -0.005 local terms energy: -50.053570 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -10.745 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -3.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -82.325697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.325697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.325697 (E_RNA) where: Base-Base interactions energy: -34.702 where: short stacking energy: -34.702 Base-Backbone interact. energy: -0.115 local terms energy: -47.508900 where: bonds (distance) C4'-P energy: -8.947 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -9.634 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -6.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -223.145433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.145433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.145433 (E_RNA) where: Base-Base interactions energy: -148.419 where: short stacking energy: -61.955 Base-Backbone interact. energy: -0.043 local terms energy: -74.683629 where: bonds (distance) C4'-P energy: -14.523 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -16.355 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -17.098 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: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -218.162804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.162804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.162804 (E_RNA) where: Base-Base interactions energy: -151.036 where: short stacking energy: -67.785 Base-Backbone interact. energy: -0.016 local terms energy: -67.111395 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -19.418 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: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -220.723924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.723924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.723924 (E_RNA) where: Base-Base interactions energy: -148.015 where: short stacking energy: -64.974 Base-Backbone interact. energy: -0.177 local terms energy: -72.532484 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -12.341 tors. eta vs tors. theta energy: -17.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -202.799719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.799719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.799719 (E_RNA) where: Base-Base interactions energy: -137.100 where: short stacking energy: -68.537 Base-Backbone interact. energy: -0.013 local terms energy: -65.686987 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -11.843 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -17.660 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: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -198.979738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.979738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.979738 (E_RNA) where: Base-Base interactions energy: -128.024 where: short stacking energy: -57.385 Base-Backbone interact. energy: -0.046 local terms energy: -70.909042 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -8.775 tors. eta vs tors. theta energy: -19.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -205.604988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.604988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.604988 (E_RNA) where: Base-Base interactions energy: -140.385 where: short stacking energy: -62.011 Base-Backbone interact. energy: -0.004 local terms energy: -65.215693 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -17.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -183.862079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.862079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.862079 (E_RNA) where: Base-Base interactions energy: -117.300 where: short stacking energy: -53.684 Base-Backbone interact. energy: -0.820 local terms energy: -65.741296 where: bonds (distance) C4'-P energy: -14.291 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -9.302 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: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -91.461419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.461419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.461419 (E_RNA) where: Base-Base interactions energy: -38.855 where: short stacking energy: -38.855 Base-Backbone interact. energy: -0.099 local terms energy: -52.507230 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -11.314 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -7.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -72.931297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.931297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.931297 (E_RNA) where: Base-Base interactions energy: -24.520 where: short stacking energy: -21.159 Base-Backbone interact. energy: 0.084 local terms energy: -48.494571 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -11.835 flat angles C4'-P-C4' energy: -11.207 flat angles P-C4'-P energy: -11.410 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: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -73.279908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.279908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.279908 (E_RNA) where: Base-Base interactions energy: -26.633 where: short stacking energy: -18.481 Base-Backbone interact. energy: -0.092 local terms energy: -46.555159 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -3.367 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: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -222.469043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.469043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.469043 (E_RNA) where: Base-Base interactions energy: -149.411 where: short stacking energy: -68.472 Base-Backbone interact. energy: -0.575 local terms energy: -72.483180 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -19.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -216.839471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.839471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.839471 (E_RNA) where: Base-Base interactions energy: -150.763 where: short stacking energy: -69.523 Base-Backbone interact. energy: -0.240 local terms energy: -65.836230 where: bonds (distance) C4'-P energy: -7.839 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -11.357 tors. eta vs tors. theta energy: -20.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -206.716589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.716589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.716589 (E_RNA) where: Base-Base interactions energy: -137.212 where: short stacking energy: -64.844 Base-Backbone interact. energy: -0.044 local terms energy: -69.461450 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -11.091 tors. eta vs tors. theta energy: -18.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -207.458749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.458749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.458749 (E_RNA) where: Base-Base interactions energy: -145.166 where: short stacking energy: -62.997 Base-Backbone interact. energy: -0.099 local terms energy: -62.193817 where: bonds (distance) C4'-P energy: -9.986 bonds (distance) P-C4' energy: -11.523 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -16.702 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: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -204.019476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.019476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.019476 (E_RNA) where: Base-Base interactions energy: -138.076 where: short stacking energy: -62.305 Base-Backbone interact. energy: -0.006 local terms energy: -65.938136 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -13.151 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: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -192.610829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.610829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.610829 (E_RNA) where: Base-Base interactions energy: -128.309 where: short stacking energy: -60.148 Base-Backbone interact. energy: -0.197 local terms energy: -64.104877 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -16.408 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: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -189.405009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.405009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.405009 (E_RNA) where: Base-Base interactions energy: -125.946 where: short stacking energy: -56.998 Base-Backbone interact. energy: -0.149 local terms energy: -63.309689 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -12.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -81.605067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.605067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.605067 (E_RNA) where: Base-Base interactions energy: -31.807 where: short stacking energy: -22.237 Base-Backbone interact. energy: -0.145 local terms energy: -49.652896 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -9.406 flat angles P-C4'-P energy: -9.294 tors. eta vs tors. theta energy: -2.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -83.633026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.633026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.633026 (E_RNA) where: Base-Base interactions energy: -40.405 where: short stacking energy: -31.954 Base-Backbone interact. energy: 1.969 local terms energy: -45.196492 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -76.371499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.371499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.371499 (E_RNA) where: Base-Base interactions energy: -29.500 where: short stacking energy: -29.500 Base-Backbone interact. energy: -0.093 local terms energy: -46.778234 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -9.384 flat angles C4'-P-C4' energy: -12.872 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -5.076 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: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -222.883688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.883688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.883688 (E_RNA) where: Base-Base interactions energy: -147.557 where: short stacking energy: -70.424 Base-Backbone interact. energy: -0.007 local terms energy: -75.319914 where: bonds (distance) C4'-P energy: -14.251 bonds (distance) P-C4' energy: -15.377 flat angles C4'-P-C4' energy: -15.962 flat angles P-C4'-P energy: -11.520 tors. eta vs tors. theta energy: -18.209 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: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -208.435697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.435697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.435697 (E_RNA) where: Base-Base interactions energy: -140.749 where: short stacking energy: -63.518 Base-Backbone interact. energy: -0.069 local terms energy: -67.617481 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -8.946 tors. eta vs tors. theta energy: -17.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -216.136067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.136067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.136067 (E_RNA) where: Base-Base interactions energy: -146.906 where: short stacking energy: -66.537 Base-Backbone interact. energy: -0.002 local terms energy: -69.227990 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -16.652 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -19.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -214.675435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.675435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.675435 (E_RNA) where: Base-Base interactions energy: -144.115 where: short stacking energy: -61.565 Base-Backbone interact. energy: -0.049 local terms energy: -70.511211 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -13.238 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -18.736 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: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -207.261210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.261210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.261210 (E_RNA) where: Base-Base interactions energy: -136.914 where: short stacking energy: -58.310 Base-Backbone interact. energy: -0.663 local terms energy: -69.683682 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -15.485 flat angles P-C4'-P energy: -11.504 tors. eta vs tors. theta energy: -14.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -192.740508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.740508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.740508 (E_RNA) where: Base-Base interactions energy: -132.935 where: short stacking energy: -54.736 Base-Backbone interact. energy: 0.586 local terms energy: -60.391032 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -15.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -180.683014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.683014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.683014 (E_RNA) where: Base-Base interactions energy: -119.259 where: short stacking energy: -48.083 Base-Backbone interact. energy: 0.441 local terms energy: -61.865359 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.258 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -12.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -78.284357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.284357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.284357 (E_RNA) where: Base-Base interactions energy: -35.384 where: short stacking energy: -27.458 Base-Backbone interact. energy: -0.062 local terms energy: -42.837626 where: bonds (distance) C4'-P energy: -9.666 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -9.442 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -6.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -74.492359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.492359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.492359 (E_RNA) where: Base-Base interactions energy: -29.336 where: short stacking energy: -27.978 Base-Backbone interact. energy: -0.049 local terms energy: -45.108034 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -0.623 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: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -73.482700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.482700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.482700 (E_RNA) where: Base-Base interactions energy: -25.006 where: short stacking energy: -22.945 Base-Backbone interact. energy: -0.140 local terms energy: -48.336518 where: bonds (distance) C4'-P energy: -12.967 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -2.104 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: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -212.479126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.479126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.479126 (E_RNA) where: Base-Base interactions energy: -141.791 where: short stacking energy: -63.803 Base-Backbone interact. energy: -0.019 local terms energy: -70.669539 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -18.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -216.453991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.453991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.453991 (E_RNA) where: Base-Base interactions energy: -149.619 where: short stacking energy: -61.950 Base-Backbone interact. energy: -0.069 local terms energy: -66.765965 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -10.484 flat angles P-C4'-P energy: -11.868 tors. eta vs tors. theta energy: -18.527 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: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -212.633729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.633729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.633729 (E_RNA) where: Base-Base interactions energy: -143.427 where: short stacking energy: -65.815 Base-Backbone interact. energy: 0.714 local terms energy: -69.921010 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -12.332 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -18.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -211.310713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.310713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.310713 (E_RNA) where: Base-Base interactions energy: -140.439 where: short stacking energy: -64.844 Base-Backbone interact. energy: -0.103 local terms energy: -70.768166 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -17.362 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: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -209.365517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.365517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.365517 (E_RNA) where: Base-Base interactions energy: -142.633 where: short stacking energy: -57.462 Base-Backbone interact. energy: -0.649 local terms energy: -66.083580 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -15.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -195.106788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.106788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.106788 (E_RNA) where: Base-Base interactions energy: -134.933 where: short stacking energy: -61.054 Base-Backbone interact. energy: -0.252 local terms energy: -59.921668 where: bonds (distance) C4'-P energy: -10.529 bonds (distance) P-C4' energy: -11.767 flat angles C4'-P-C4' energy: -9.698 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -18.441 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: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -178.666149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.666149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.666149 (E_RNA) where: Base-Base interactions energy: -112.813 where: short stacking energy: -58.525 Base-Backbone interact. energy: -0.579 local terms energy: -65.273984 where: bonds (distance) C4'-P energy: -13.663 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -12.628 tors. eta vs tors. theta energy: -16.789 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: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -80.429007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.429007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.429007 (E_RNA) where: Base-Base interactions energy: -32.571 where: short stacking energy: -32.571 Base-Backbone interact. energy: -0.072 local terms energy: -47.786105 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -10.170 flat angles P-C4'-P energy: -8.609 tors. eta vs tors. theta energy: -3.339 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: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -81.703953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.703953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.703953 (E_RNA) where: Base-Base interactions energy: -36.569 where: short stacking energy: -36.569 Base-Backbone interact. energy: -0.237 local terms energy: -44.898007 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -5.971 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: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -78.019345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.019345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.019345 (E_RNA) where: Base-Base interactions energy: -32.343 where: short stacking energy: -24.151 Base-Backbone interact. energy: -0.250 local terms energy: -45.426246 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -10.965 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: 2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -210.224839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.224839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.224839 (E_RNA) where: Base-Base interactions energy: -141.387 where: short stacking energy: -67.999 Base-Backbone interact. energy: -0.004 local terms energy: -68.833597 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -8.214 tors. eta vs tors. theta energy: -16.746 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: 65 Temperature: 0.950000 Total energy: -219.743395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.743395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.743395 (E_RNA) where: Base-Base interactions energy: -154.993 where: short stacking energy: -71.066 Base-Backbone interact. energy: -0.630 local terms energy: -64.120235 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -15.727 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -18.000 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: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -218.724260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.724260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.724260 (E_RNA) where: Base-Base interactions energy: -151.672 where: short stacking energy: -64.305 Base-Backbone interact. energy: -0.061 local terms energy: -66.990961 where: bonds (distance) C4'-P energy: -15.558 bonds (distance) P-C4' energy: -9.217 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -18.952 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: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -212.748091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.748091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.748091 (E_RNA) where: Base-Base interactions energy: -140.605 where: short stacking energy: -57.221 Base-Backbone interact. energy: -0.099 local terms energy: -72.044403 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -16.179 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -17.645 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: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -208.835670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.835670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.835670 (E_RNA) where: Base-Base interactions energy: -140.492 where: short stacking energy: -60.600 Base-Backbone interact. energy: -0.063 local terms energy: -68.280439 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -12.483 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: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -198.343027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.343027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.343027 (E_RNA) where: Base-Base interactions energy: -132.587 where: short stacking energy: -62.706 Base-Backbone interact. energy: 1.130 local terms energy: -66.885941 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -16.576 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -157.448750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.448750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.448750 (E_RNA) where: Base-Base interactions energy: -104.237 where: short stacking energy: -49.271 Base-Backbone interact. energy: -0.018 local terms energy: -53.194500 where: bonds (distance) C4'-P energy: -9.882 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -9.472 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: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -82.187153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.187153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.187153 (E_RNA) where: Base-Base interactions energy: -35.579 where: short stacking energy: -35.579 Base-Backbone interact. energy: -0.028 local terms energy: -46.580907 where: bonds (distance) C4'-P energy: -9.792 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -84.565030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.565030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.565030 (E_RNA) where: Base-Base interactions energy: -35.731 where: short stacking energy: -29.489 Base-Backbone interact. energy: -0.241 local terms energy: -48.592324 where: bonds (distance) C4'-P energy: -7.465 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -11.233 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -6.744 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: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -70.780382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.780382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.780382 (E_RNA) where: Base-Base interactions energy: -21.353 where: short stacking energy: -21.353 Base-Backbone interact. energy: -0.015 local terms energy: -49.412598 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -11.354 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -1.153 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: 66 Temperature: 0.900000 Total energy: -222.354356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.354356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.354356 (E_RNA) where: Base-Base interactions energy: -150.851 where: short stacking energy: -60.762 Base-Backbone interact. energy: -0.877 local terms energy: -70.626686 where: bonds (distance) C4'-P energy: -15.139 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -16.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -210.792702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.792702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.792702 (E_RNA) where: Base-Base interactions energy: -140.972 where: short stacking energy: -62.226 Base-Backbone interact. energy: -0.647 local terms energy: -69.174381 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -13.089 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -17.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -216.361209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.361209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.361209 (E_RNA) where: Base-Base interactions energy: -152.710 where: short stacking energy: -68.664 Base-Backbone interact. energy: -0.022 local terms energy: -63.629064 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -11.212 flat angles C4'-P-C4' energy: -16.262 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -18.371 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: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -217.118681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.118681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.118681 (E_RNA) where: Base-Base interactions energy: -147.280 where: short stacking energy: -62.321 Base-Backbone interact. energy: -0.202 local terms energy: -69.636461 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -12.595 tors. eta vs tors. theta energy: -15.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -201.315139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.315139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.315139 (E_RNA) where: Base-Base interactions energy: -132.258 where: short stacking energy: -67.848 Base-Backbone interact. energy: -0.020 local terms energy: -69.037337 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -19.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -209.147475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.147475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.147475 (E_RNA) where: Base-Base interactions energy: -142.221 where: short stacking energy: -64.905 Base-Backbone interact. energy: -0.051 local terms energy: -66.875564 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -12.142 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -10.375 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: 7, replica: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -157.370501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.370501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.370501 (E_RNA) where: Base-Base interactions energy: -97.378 where: short stacking energy: -52.825 Base-Backbone interact. energy: 0.202 local terms energy: -60.193948 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -12.002 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: -15.379 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: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -78.718341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.718341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.718341 (E_RNA) where: Base-Base interactions energy: -29.316 where: short stacking energy: -29.316 Base-Backbone interact. energy: -0.003 local terms energy: -49.399159 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -0.358 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: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -74.568909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.568909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.568909 (E_RNA) where: Base-Base interactions energy: -27.824 where: short stacking energy: -27.824 Base-Backbone interact. energy: -0.097 local terms energy: -46.648076 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -11.231 flat angles C4'-P-C4' energy: -9.391 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: -3.945 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: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -73.071865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.071865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.071865 (E_RNA) where: Base-Base interactions energy: -26.045 where: short stacking energy: -25.886 Base-Backbone interact. energy: -0.212 local terms energy: -46.815649 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -4.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -228.645181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.645181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.645181 (E_RNA) where: Base-Base interactions energy: -149.812 where: short stacking energy: -68.341 Base-Backbone interact. energy: -2.811 local terms energy: -76.022337 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -15.868 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -21.674 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: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -214.938592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.938592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.938592 (E_RNA) where: Base-Base interactions energy: -148.216 where: short stacking energy: -67.009 Base-Backbone interact. energy: -0.338 local terms energy: -66.383885 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -8.922 flat angles C4'-P-C4' energy: -16.592 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -19.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -207.898269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.898269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.898269 (E_RNA) where: Base-Base interactions energy: -135.361 where: short stacking energy: -60.164 Base-Backbone interact. energy: -0.006 local terms energy: -72.531832 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -15.263 flat angles C4'-P-C4' energy: -15.536 flat angles P-C4'-P energy: -11.792 tors. eta vs tors. theta energy: -15.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -196.840486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.840486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.840486 (E_RNA) where: Base-Base interactions energy: -131.205 where: short stacking energy: -59.842 Base-Backbone interact. energy: -0.083 local terms energy: -65.552507 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -15.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -200.637719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.637719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.637719 (E_RNA) where: Base-Base interactions energy: -134.919 where: short stacking energy: -53.999 Base-Backbone interact. energy: -0.070 local terms energy: -65.648799 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -11.673 flat angles P-C4'-P energy: -11.440 tors. eta vs tors. theta energy: -12.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -177.567946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.567946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.567946 (E_RNA) where: Base-Base interactions energy: -108.870 where: short stacking energy: -53.900 Base-Backbone interact. energy: -0.014 local terms energy: -68.684625 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -14.513 flat angles P-C4'-P energy: -12.780 tors. eta vs tors. theta energy: -14.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -196.623960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.623960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.623960 (E_RNA) where: Base-Base interactions energy: -137.230 where: short stacking energy: -58.092 Base-Backbone interact. energy: -0.324 local terms energy: -59.069932 where: bonds (distance) C4'-P energy: -9.957 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -10.878 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -15.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -88.783476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.783476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.783476 (E_RNA) where: Base-Base interactions energy: -32.424 where: short stacking energy: -32.424 Base-Backbone interact. energy: -0.051 local terms energy: -56.308471 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -10.602 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -7.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -119.368192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.368192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.368192 (E_RNA) where: Base-Base interactions energy: -70.392 where: short stacking energy: -31.405 Base-Backbone interact. energy: -0.063 local terms energy: -48.912748 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -12.289 flat angles C4'-P-C4' energy: -11.027 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -71.470501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.470501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.470501 (E_RNA) where: Base-Base interactions energy: -33.751 where: short stacking energy: -21.501 Base-Backbone interact. energy: -0.071 local terms energy: -37.648630 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -0.886 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: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -218.122850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.122850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.122850 (E_RNA) where: Base-Base interactions energy: -148.145 where: short stacking energy: -65.255 Base-Backbone interact. energy: -0.013 local terms energy: -69.965334 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -16.131 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -16.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -215.611934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.611934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.611934 (E_RNA) where: Base-Base interactions energy: -149.824 where: short stacking energy: -65.414 Base-Backbone interact. energy: -0.045 local terms energy: -65.742601 where: bonds (distance) C4'-P energy: -12.404 bonds (distance) P-C4' energy: -11.306 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -17.999 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: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -207.479764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.479764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.479764 (E_RNA) where: Base-Base interactions energy: -135.733 where: short stacking energy: -64.565 Base-Backbone interact. energy: -0.706 local terms energy: -71.040357 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -16.135 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -18.306 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: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -206.350787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.350787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.350787 (E_RNA) where: Base-Base interactions energy: -135.593 where: short stacking energy: -64.002 Base-Backbone interact. energy: -0.219 local terms energy: -70.539174 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -11.924 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -13.134 tors. eta vs tors. theta energy: -17.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -205.559383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.559383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.559383 (E_RNA) where: Base-Base interactions energy: -143.205 where: short stacking energy: -57.277 Base-Backbone interact. energy: -0.227 local terms energy: -62.127487 where: bonds (distance) C4'-P energy: -9.750 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -13.053 tors. eta vs tors. theta energy: -14.341 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: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -182.481987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.481987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.481987 (E_RNA) where: Base-Base interactions energy: -119.257 where: short stacking energy: -55.401 Base-Backbone interact. energy: -0.586 local terms energy: -62.638809 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -14.813 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: 68 Temperature: 1.200000 Total energy: -202.561348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.561348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.561348 (E_RNA) where: Base-Base interactions energy: -140.452 where: short stacking energy: -59.508 Base-Backbone interact. energy: -0.010 local terms energy: -62.099840 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -10.670 tors. eta vs tors. theta energy: -13.849 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: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -88.164719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.164719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.164719 (E_RNA) where: Base-Base interactions energy: -43.825 where: short stacking energy: -29.407 Base-Backbone interact. energy: -0.240 local terms energy: -44.100061 where: bonds (distance) C4'-P energy: -9.646 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -113.303442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.303442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.303442 (E_RNA) where: Base-Base interactions energy: -68.761 where: short stacking energy: -26.586 Base-Backbone interact. energy: -0.193 local terms energy: -44.349988 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -11.218 flat angles C4'-P-C4' energy: -9.683 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -72.401947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.401947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.401947 (E_RNA) where: Base-Base interactions energy: -32.919 where: short stacking energy: -32.042 Base-Backbone interact. energy: -0.076 local terms energy: -39.407049 where: bonds (distance) C4'-P energy: -11.651 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -8.582 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -215.681873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.681873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.681873 (E_RNA) where: Base-Base interactions energy: -146.452 where: short stacking energy: -63.289 Base-Backbone interact. energy: -0.343 local terms energy: -68.886180 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -11.828 tors. eta vs tors. theta energy: -16.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -216.769131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.769131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.769131 (E_RNA) where: Base-Base interactions energy: -143.795 where: short stacking energy: -64.599 Base-Backbone interact. energy: -0.002 local terms energy: -72.971872 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -20.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -204.045067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.045067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.045067 (E_RNA) where: Base-Base interactions energy: -133.312 where: short stacking energy: -62.783 Base-Backbone interact. energy: -0.102 local terms energy: -70.630600 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -16.177 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: -16.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -210.733495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.733495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.733495 (E_RNA) where: Base-Base interactions energy: -148.077 where: short stacking energy: -63.330 Base-Backbone interact. energy: -0.005 local terms energy: -62.651885 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -17.980 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: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -191.179495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.179495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.179495 (E_RNA) where: Base-Base interactions energy: -129.526 where: short stacking energy: -57.121 Base-Backbone interact. energy: 0.687 local terms energy: -62.340737 where: bonds (distance) C4'-P energy: -11.184 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -10.717 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -16.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -208.745709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.745709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.745709 (E_RNA) where: Base-Base interactions energy: -140.393 where: short stacking energy: -61.493 Base-Backbone interact. energy: -0.009 local terms energy: -68.343297 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -19.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -180.912788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.912788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.912788 (E_RNA) where: Base-Base interactions energy: -116.574 where: short stacking energy: -50.731 Base-Backbone interact. energy: -0.608 local terms energy: -63.731165 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -16.314 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -14.780 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: 7 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -118.555450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.555450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.555450 (E_RNA) where: Base-Base interactions energy: -73.288 where: short stacking energy: -34.524 Base-Backbone interact. energy: -0.363 local terms energy: -44.905045 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -9.876 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: 2.216 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: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -87.534428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.534428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.534428 (E_RNA) where: Base-Base interactions energy: -34.660 where: short stacking energy: -32.575 Base-Backbone interact. energy: -0.738 local terms energy: -52.135512 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -16.343 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -6.765 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: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -74.198817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.198817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.198817 (E_RNA) where: Base-Base interactions energy: -28.417 where: short stacking energy: -21.234 Base-Backbone interact. energy: -0.122 local terms energy: -45.659520 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -220.922457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.922457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.922457 (E_RNA) where: Base-Base interactions energy: -148.684 where: short stacking energy: -61.933 Base-Backbone interact. energy: -0.003 local terms energy: -72.235374 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -15.633 flat angles P-C4'-P energy: -11.422 tors. eta vs tors. theta energy: -19.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -210.900485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.900485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.900485 (E_RNA) where: Base-Base interactions energy: -143.413 where: short stacking energy: -65.925 Base-Backbone interact. energy: -0.486 local terms energy: -67.000801 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -14.497 flat angles C4'-P-C4' energy: -17.080 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -17.622 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: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -217.206701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.206701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.206701 (E_RNA) where: Base-Base interactions energy: -146.745 where: short stacking energy: -62.154 Base-Backbone interact. energy: -0.212 local terms energy: -70.250435 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -8.576 tors. eta vs tors. theta energy: -19.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -199.842424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.842424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.842424 (E_RNA) where: Base-Base interactions energy: -129.643 where: short stacking energy: -54.402 Base-Backbone interact. energy: -0.273 local terms energy: -69.926748 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -10.025 tors. eta vs tors. theta energy: -17.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -214.051443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.051443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.051443 (E_RNA) where: Base-Base interactions energy: -147.079 where: short stacking energy: -66.427 Base-Backbone interact. energy: -0.007 local terms energy: -66.965525 where: bonds (distance) C4'-P energy: -14.793 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -11.656 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -19.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -183.894370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.894370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.894370 (E_RNA) where: Base-Base interactions energy: -123.143 where: short stacking energy: -57.411 Base-Backbone interact. energy: -0.069 local terms energy: -60.681992 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -10.055 flat angles C4'-P-C4' energy: -16.503 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -14.763 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: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -185.356599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.356599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.356599 (E_RNA) where: Base-Base interactions energy: -126.183 where: short stacking energy: -55.785 Base-Backbone interact. energy: -0.284 local terms energy: -58.889856 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -11.117 flat angles C4'-P-C4' energy: -16.666 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -13.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -146.749756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.749756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.749756 (E_RNA) where: Base-Base interactions energy: -90.011 where: short stacking energy: -43.552 Base-Backbone interact. energy: -0.192 local terms energy: -56.546379 where: bonds (distance) C4'-P energy: -12.201 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -9.253 tors. eta vs tors. theta energy: -8.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -86.159078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.159078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.159078 (E_RNA) where: Base-Base interactions energy: -37.126 where: short stacking energy: -33.544 Base-Backbone interact. energy: -0.206 local terms energy: -48.827053 where: bonds (distance) C4'-P energy: -15.153 bonds (distance) P-C4' energy: -11.449 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -66.878575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.878575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.878575 (E_RNA) where: Base-Base interactions energy: -16.867 where: short stacking energy: -16.867 Base-Backbone interact. energy: -0.267 local terms energy: -49.744575 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: 1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -224.491245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.491245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.491245 (E_RNA) where: Base-Base interactions energy: -152.909 where: short stacking energy: -68.362 Base-Backbone interact. energy: -0.343 local terms energy: -71.239290 where: bonds (distance) C4'-P energy: -16.485 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -11.057 flat angles P-C4'-P energy: -11.028 tors. eta vs tors. theta energy: -19.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -216.078745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.078745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.078745 (E_RNA) where: Base-Base interactions energy: -149.044 where: short stacking energy: -68.211 Base-Backbone interact. energy: -0.620 local terms energy: -66.415350 where: bonds (distance) C4'-P energy: -8.050 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -14.779 flat angles P-C4'-P energy: -11.152 tors. eta vs tors. theta energy: -16.928 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: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -212.899436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.899436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.899436 (E_RNA) where: Base-Base interactions energy: -142.628 where: short stacking energy: -65.075 Base-Backbone interact. energy: -0.000 local terms energy: -70.270841 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -14.931 flat angles C4'-P-C4' energy: -15.342 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -15.575 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: 2 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -212.869722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.869722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.869722 (E_RNA) where: Base-Base interactions energy: -144.392 where: short stacking energy: -60.210 Base-Backbone interact. energy: -0.017 local terms energy: -68.460838 where: bonds (distance) C4'-P energy: -10.288 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -20.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -198.282760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.282760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.282760 (E_RNA) where: Base-Base interactions energy: -136.851 where: short stacking energy: -62.788 Base-Backbone interact. energy: -0.021 local terms energy: -61.410686 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -11.497 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -6.381 tors. eta vs tors. theta energy: -17.079 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: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -183.536773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.536773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.536773 (E_RNA) where: Base-Base interactions energy: -119.845 where: short stacking energy: -55.239 Base-Backbone interact. energy: -0.331 local terms energy: -63.360711 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -14.064 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: 7, replica: 4 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -155.010234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.010234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.010234 (E_RNA) where: Base-Base interactions energy: -88.401 where: short stacking energy: -44.684 Base-Backbone interact. energy: -0.035 local terms energy: -66.574169 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -16.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -76.440550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.440550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.440550 (E_RNA) where: Base-Base interactions energy: -36.543 where: short stacking energy: -28.101 Base-Backbone interact. energy: -0.511 local terms energy: -39.386326 where: bonds (distance) C4'-P energy: -6.277 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -9.813 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -1.772 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: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -163.652973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.652973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.652973 (E_RNA) where: Base-Base interactions energy: -107.423 where: short stacking energy: -47.973 Base-Backbone interact. energy: -0.407 local terms energy: -55.823058 where: bonds (distance) C4'-P energy: -9.891 bonds (distance) P-C4' energy: -13.686 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -9.636 tors. eta vs tors. theta energy: -10.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -82.714242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.714242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.714242 (E_RNA) where: Base-Base interactions energy: -38.712 where: short stacking energy: -29.266 Base-Backbone interact. energy: -0.235 local terms energy: -43.766868 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -7.912 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -218.062763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.062763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.062763 (E_RNA) where: Base-Base interactions energy: -149.119 where: short stacking energy: -68.213 Base-Backbone interact. energy: -0.176 local terms energy: -68.768012 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -17.473 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: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -218.137992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.137992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.137992 (E_RNA) where: Base-Base interactions energy: -149.329 where: short stacking energy: -62.547 Base-Backbone interact. energy: -0.239 local terms energy: -68.570263 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -9.655 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -19.297 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: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -213.689533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.689533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.689533 (E_RNA) where: Base-Base interactions energy: -147.258 where: short stacking energy: -65.650 Base-Backbone interact. energy: -0.733 local terms energy: -65.697933 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -17.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -211.293196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.293196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.293196 (E_RNA) where: Base-Base interactions energy: -148.600 where: short stacking energy: -70.420 Base-Backbone interact. energy: -0.039 local terms energy: -62.653650 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -10.357 tors. eta vs tors. theta energy: -17.237 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: 9 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -200.518869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.518869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.518869 (E_RNA) where: Base-Base interactions energy: -127.933 where: short stacking energy: -58.282 Base-Backbone interact. energy: -0.024 local terms energy: -72.562413 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -18.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -185.844105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.844105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.844105 (E_RNA) where: Base-Base interactions energy: -123.344 where: short stacking energy: -54.388 Base-Backbone interact. energy: -0.047 local terms energy: -62.453327 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -13.397 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: 4 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -156.301576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.301576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.301576 (E_RNA) where: Base-Base interactions energy: -101.202 where: short stacking energy: -48.692 Base-Backbone interact. energy: -0.341 local terms energy: -54.758207 where: bonds (distance) C4'-P energy: -9.916 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -12.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -83.977474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.977474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.977474 (E_RNA) where: Base-Base interactions energy: -40.432 where: short stacking energy: -28.902 Base-Backbone interact. energy: -0.153 local terms energy: -43.392737 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -9.755 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -3.944 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: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -176.714937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.714937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.714937 (E_RNA) where: Base-Base interactions energy: -119.900 where: short stacking energy: -47.026 Base-Backbone interact. energy: -0.514 local terms energy: -56.301053 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -9.655 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -70.853695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.853695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.853695 (E_RNA) where: Base-Base interactions energy: -32.778 where: short stacking energy: -27.000 Base-Backbone interact. energy: -0.015 local terms energy: -38.060351 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -0.688 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -221.186671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.186671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.186671 (E_RNA) where: Base-Base interactions energy: -148.143 where: short stacking energy: -65.050 Base-Backbone interact. energy: -0.729 local terms energy: -72.314892 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -13.372 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -14.247 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: 2, replica: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -221.073113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.073113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.073113 (E_RNA) where: Base-Base interactions energy: -150.465 where: short stacking energy: -62.226 Base-Backbone interact. energy: -0.006 local terms energy: -70.602103 where: bonds (distance) C4'-P energy: -14.793 bonds (distance) P-C4' energy: -10.841 flat angles C4'-P-C4' energy: -15.140 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -18.619 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: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -215.642566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.642566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.642566 (E_RNA) where: Base-Base interactions energy: -147.942 where: short stacking energy: -65.857 Base-Backbone interact. energy: -0.638 local terms energy: -67.062814 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -198.810346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.810346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.810346 (E_RNA) where: Base-Base interactions energy: -142.085 where: short stacking energy: -63.974 Base-Backbone interact. energy: -0.106 local terms energy: -56.619373 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -11.363 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -16.065 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: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -195.655159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.655159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.655159 (E_RNA) where: Base-Base interactions energy: -135.542 where: short stacking energy: -55.532 Base-Backbone interact. energy: -0.199 local terms energy: -59.913580 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -11.461 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: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -183.574523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.574523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.574523 (E_RNA) where: Base-Base interactions energy: -126.702 where: short stacking energy: -55.732 Base-Backbone interact. energy: -0.025 local terms energy: -56.846962 where: bonds (distance) C4'-P energy: -9.954 bonds (distance) P-C4' energy: -10.043 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -13.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -159.315105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.315105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.315105 (E_RNA) where: Base-Base interactions energy: -104.832 where: short stacking energy: -47.585 Base-Backbone interact. energy: -0.150 local terms energy: -54.333429 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -9.108 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -12.424 tors. eta vs tors. theta energy: -10.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -176.712333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.712333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.712333 (E_RNA) where: Base-Base interactions energy: -116.133 where: short stacking energy: -52.246 Base-Backbone interact. energy: -0.713 local terms energy: -59.866200 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -11.609 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: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -83.213088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.213088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.213088 (E_RNA) where: Base-Base interactions energy: -40.649 where: short stacking energy: -30.011 Base-Backbone interact. energy: -0.112 local terms energy: -42.452255 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -1.314 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: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -71.551845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.551845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.551845 (E_RNA) where: Base-Base interactions energy: -22.873 where: short stacking energy: -22.873 Base-Backbone interact. energy: -0.021 local terms energy: -48.658279 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -16.109 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -8.839 tors. eta vs tors. theta energy: -5.185 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: 74 Temperature: 0.900000 Total energy: -217.543650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.543650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.543650 (E_RNA) where: Base-Base interactions energy: -156.180 where: short stacking energy: -69.116 Base-Backbone interact. energy: -0.104 local terms energy: -61.259217 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -17.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -217.193048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.193048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.193048 (E_RNA) where: Base-Base interactions energy: -151.001 where: short stacking energy: -69.536 Base-Backbone interact. energy: -0.498 local terms energy: -65.693470 where: bonds (distance) C4'-P energy: -9.725 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -11.128 tors. eta vs tors. theta energy: -18.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -196.733217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.733217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.733217 (E_RNA) where: Base-Base interactions energy: -131.073 where: short stacking energy: -59.181 Base-Backbone interact. energy: -0.205 local terms energy: -65.455045 where: bonds (distance) C4'-P energy: -10.229 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -17.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -207.697777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.697777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.697777 (E_RNA) where: Base-Base interactions energy: -144.113 where: short stacking energy: -67.209 Base-Backbone interact. energy: -0.593 local terms energy: -62.991247 where: bonds (distance) C4'-P energy: -13.128 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -16.670 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: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -205.277511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.277511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.277511 (E_RNA) where: Base-Base interactions energy: -136.898 where: short stacking energy: -58.340 Base-Backbone interact. energy: -0.156 local terms energy: -68.223733 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -12.216 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -9.905 tors. eta vs tors. theta energy: -16.163 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: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -195.374041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.374041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.374041 (E_RNA) where: Base-Base interactions energy: -129.814 where: short stacking energy: -59.550 Base-Backbone interact. energy: -0.056 local terms energy: -65.503452 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -8.512 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: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -200.084172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.084172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.084172 (E_RNA) where: Base-Base interactions energy: -140.871 where: short stacking energy: -58.714 Base-Backbone interact. energy: -0.165 local terms energy: -59.047730 where: bonds (distance) C4'-P energy: -9.882 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -15.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -191.362460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.362460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.362460 (E_RNA) where: Base-Base interactions energy: -130.273 where: short stacking energy: -58.200 Base-Backbone interact. energy: -0.085 local terms energy: -61.004035 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -14.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -77.956462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.956462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.956462 (E_RNA) where: Base-Base interactions energy: -34.138 where: short stacking energy: -34.138 Base-Backbone interact. energy: -0.013 local terms energy: -43.806003 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -10.729 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -2.986 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: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -74.188320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.188320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.188320 (E_RNA) where: Base-Base interactions energy: -23.901 where: short stacking energy: -20.302 Base-Backbone interact. energy: -1.681 local terms energy: -48.605895 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -11.690 flat angles C4'-P-C4' energy: -9.662 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -3.778 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: 75 Temperature: 0.900000 Total energy: -217.871966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.871966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.871966 (E_RNA) where: Base-Base interactions energy: -148.297 where: short stacking energy: -64.468 Base-Backbone interact. energy: -0.848 local terms energy: -68.726598 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -15.934 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -12.030 tors. eta vs tors. theta energy: -16.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -215.737521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.737521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.737521 (E_RNA) where: Base-Base interactions energy: -142.596 where: short stacking energy: -67.657 Base-Backbone interact. energy: -0.002 local terms energy: -73.139037 where: bonds (distance) C4'-P energy: -16.668 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -10.210 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: 3, replica: 5 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -213.580348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.580348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.580348 (E_RNA) where: Base-Base interactions energy: -143.477 where: short stacking energy: -62.666 Base-Backbone interact. energy: -0.007 local terms energy: -70.095936 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -8.269 tors. eta vs tors. theta energy: -19.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -211.265760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.265760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.265760 (E_RNA) where: Base-Base interactions energy: -151.159 where: short stacking energy: -68.721 Base-Backbone interact. energy: -0.137 local terms energy: -59.969709 where: bonds (distance) C4'-P energy: -9.394 bonds (distance) P-C4' energy: -10.737 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -19.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -203.979843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.979843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.979843 (E_RNA) where: Base-Base interactions energy: -140.745 where: short stacking energy: -60.165 Base-Backbone interact. energy: -0.936 local terms energy: -62.298432 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -11.482 flat angles P-C4'-P energy: -8.240 tors. eta vs tors. theta energy: -16.235 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: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -192.417105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.417105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.417105 (E_RNA) where: Base-Base interactions energy: -134.148 where: short stacking energy: -61.369 Base-Backbone interact. energy: -0.149 local terms energy: -58.120010 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -10.442 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -16.911 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: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -204.799055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.799055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.799055 (E_RNA) where: Base-Base interactions energy: -142.995 where: short stacking energy: -64.316 Base-Backbone interact. energy: -0.004 local terms energy: -61.799976 where: bonds (distance) C4'-P energy: -9.464 bonds (distance) P-C4' energy: -10.424 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -15.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -188.929687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.929687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.929687 (E_RNA) where: Base-Base interactions energy: -120.547 where: short stacking energy: -51.908 Base-Backbone interact. energy: -0.015 local terms energy: -68.367727 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -16.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -79.829421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.829421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.829421 (E_RNA) where: Base-Base interactions energy: -36.596 where: short stacking energy: -31.956 Base-Backbone interact. energy: -0.124 local terms energy: -43.109894 where: bonds (distance) C4'-P energy: -12.391 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: 4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -73.732933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.732933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.732933 (E_RNA) where: Base-Base interactions energy: -23.765 where: short stacking energy: -23.765 Base-Backbone interact. energy: -0.010 local terms energy: -49.958735 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -9.672 flat angles C4'-P-C4' energy: -11.716 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -6.523 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: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -216.689361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.689361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.689361 (E_RNA) where: Base-Base interactions energy: -140.725 where: short stacking energy: -61.732 Base-Backbone interact. energy: -0.157 local terms energy: -75.807445 where: bonds (distance) C4'-P energy: -15.881 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -18.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -221.916460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.916460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.916460 (E_RNA) where: Base-Base interactions energy: -151.692 where: short stacking energy: -69.882 Base-Backbone interact. energy: -0.001 local terms energy: -70.223607 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -21.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -224.988269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.988269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.988269 (E_RNA) where: Base-Base interactions energy: -151.616 where: short stacking energy: -69.788 Base-Backbone interact. energy: -0.037 local terms energy: -73.335077 where: bonds (distance) C4'-P energy: -14.976 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -14.638 flat angles P-C4'-P energy: -8.103 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: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -206.195629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.195629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.195629 (E_RNA) where: Base-Base interactions energy: -143.522 where: short stacking energy: -59.376 Base-Backbone interact. energy: 1.625 local terms energy: -64.298329 where: bonds (distance) C4'-P energy: -13.500 bonds (distance) P-C4' energy: -12.189 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -14.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -201.841296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.841296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.841296 (E_RNA) where: Base-Base interactions energy: -135.787 where: short stacking energy: -58.752 Base-Backbone interact. energy: -0.225 local terms energy: -65.828941 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -11.677 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -17.953 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: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -199.225455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.225455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.225455 (E_RNA) where: Base-Base interactions energy: -135.497 where: short stacking energy: -55.580 Base-Backbone interact. energy: -0.054 local terms energy: -63.674258 where: bonds (distance) C4'-P energy: -9.755 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -12.483 flat angles P-C4'-P energy: -9.447 tors. eta vs tors. theta energy: -16.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -183.125245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.125245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.125245 (E_RNA) where: Base-Base interactions energy: -126.285 where: short stacking energy: -57.520 Base-Backbone interact. energy: -0.117 local terms energy: -56.722298 where: bonds (distance) C4'-P energy: -10.835 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -17.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -198.130235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.130235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.130235 (E_RNA) where: Base-Base interactions energy: -137.700 where: short stacking energy: -63.494 Base-Backbone interact. energy: -0.491 local terms energy: -59.939274 where: bonds (distance) C4'-P energy: -9.124 bonds (distance) P-C4' energy: -8.107 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -16.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -69.936612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.936612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.936612 (E_RNA) where: Base-Base interactions energy: -22.767 where: short stacking energy: -19.237 Base-Backbone interact. energy: -0.398 local terms energy: -46.771239 where: bonds (distance) C4'-P energy: -11.178 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -14.270 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: 1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -77.979362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.979362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.979362 (E_RNA) where: Base-Base interactions energy: -28.452 where: short stacking energy: -28.702 Base-Backbone interact. energy: -0.378 local terms energy: -49.149728 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -9.814 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -212.428336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.428336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.428336 (E_RNA) where: Base-Base interactions energy: -137.497 where: short stacking energy: -65.795 Base-Backbone interact. energy: 0.327 local terms energy: -75.258157 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -15.860 flat angles P-C4'-P energy: -10.336 tors. eta vs tors. theta energy: -19.761 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: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -215.249397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.249397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.249397 (E_RNA) where: Base-Base interactions energy: -138.539 where: short stacking energy: -63.651 Base-Backbone interact. energy: -0.491 local terms energy: -76.219583 where: bonds (distance) C4'-P energy: -14.195 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -13.871 tors. eta vs tors. theta energy: -20.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -216.783997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.783997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.783997 (E_RNA) where: Base-Base interactions energy: -149.608 where: short stacking energy: -63.304 Base-Backbone interact. energy: -0.015 local terms energy: -67.161601 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -11.607 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -19.514 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: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -204.509454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.509454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.509454 (E_RNA) where: Base-Base interactions energy: -135.146 where: short stacking energy: -60.200 Base-Backbone interact. energy: -0.099 local terms energy: -69.264380 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -9.267 tors. eta vs tors. theta energy: -16.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -203.154249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.154249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.154249 (E_RNA) where: Base-Base interactions energy: -134.947 where: short stacking energy: -63.973 Base-Backbone interact. energy: -0.141 local terms energy: -68.066435 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -17.611 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: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -193.333906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.333906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.333906 (E_RNA) where: Base-Base interactions energy: -132.800 where: short stacking energy: -59.617 Base-Backbone interact. energy: -0.244 local terms energy: -60.289742 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -10.204 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -19.149 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: 77 Temperature: 1.200000 Total energy: -191.768780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.768780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.768780 (E_RNA) where: Base-Base interactions energy: -135.596 where: short stacking energy: -55.048 Base-Backbone interact. energy: -0.047 local terms energy: -56.125581 where: bonds (distance) C4'-P energy: -6.857 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -10.114 flat angles P-C4'-P energy: -11.250 tors. eta vs tors. theta energy: -14.798 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: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -199.589708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.589708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.589708 (E_RNA) where: Base-Base interactions energy: -137.614 where: short stacking energy: -60.166 Base-Backbone interact. energy: -0.000 local terms energy: -61.975549 where: bonds (distance) C4'-P energy: -9.845 bonds (distance) P-C4' energy: -12.561 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -10.783 tors. eta vs tors. theta energy: -16.211 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: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -73.636060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.636060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.636060 (E_RNA) where: Base-Base interactions energy: -31.050 where: short stacking energy: -31.050 Base-Backbone interact. energy: -0.081 local terms energy: -42.504391 where: bonds (distance) C4'-P energy: -7.762 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -72.932556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.932556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.932556 (E_RNA) where: Base-Base interactions energy: -32.842 where: short stacking energy: -32.842 Base-Backbone interact. energy: 0.466 local terms energy: -40.555985 where: bonds (distance) C4'-P energy: -9.448 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -9.630 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -222.832287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.832287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.832287 (E_RNA) where: Base-Base interactions energy: -151.310 where: short stacking energy: -64.682 Base-Backbone interact. energy: -0.001 local terms energy: -71.521305 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -14.324 flat angles P-C4'-P energy: -12.404 tors. eta vs tors. theta energy: -18.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -215.332917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.332917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.332917 (E_RNA) where: Base-Base interactions energy: -138.625 where: short stacking energy: -69.761 Base-Backbone interact. energy: -0.027 local terms energy: -76.681139 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -17.299 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -19.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -212.721217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.721217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.721217 (E_RNA) where: Base-Base interactions energy: -141.459 where: short stacking energy: -63.599 Base-Backbone interact. energy: -0.191 local terms energy: -71.071155 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -14.513 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -19.193 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: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -201.793525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.793525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.793525 (E_RNA) where: Base-Base interactions energy: -135.820 where: short stacking energy: -64.223 Base-Backbone interact. energy: 1.664 local terms energy: -67.636926 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -8.507 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: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -192.277450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.277450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.277450 (E_RNA) where: Base-Base interactions energy: -126.695 where: short stacking energy: -63.107 Base-Backbone interact. energy: -0.002 local terms energy: -65.580750 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -11.553 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -15.736 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: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -202.190832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.190832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.190832 (E_RNA) where: Base-Base interactions energy: -141.827 where: short stacking energy: -58.091 Base-Backbone interact. energy: -0.105 local terms energy: -60.259545 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -15.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -197.440515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.440515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.440515 (E_RNA) where: Base-Base interactions energy: -137.350 where: short stacking energy: -54.847 Base-Backbone interact. energy: -0.522 local terms energy: -59.568395 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -10.109 flat angles C4'-P-C4' energy: -14.224 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -188.619062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.619062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.619062 (E_RNA) where: Base-Base interactions energy: -134.877 where: short stacking energy: -47.914 Base-Backbone interact. energy: -0.271 local terms energy: -53.471681 where: bonds (distance) C4'-P energy: -16.097 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -10.126 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: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -73.618829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.618829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.618829 (E_RNA) where: Base-Base interactions energy: -41.123 where: short stacking energy: -26.478 Base-Backbone interact. energy: 2.636 local terms energy: -35.132454 where: bonds (distance) C4'-P energy: -9.411 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -0.146 tors. eta vs tors. theta energy: 0.113 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: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -71.322307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.322307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.322307 (E_RNA) where: Base-Base interactions energy: -33.620 where: short stacking energy: -29.659 Base-Backbone interact. energy: -0.376 local terms energy: -37.326859 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -6.176 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -3.116 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: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -222.270132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.270132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.270132 (E_RNA) where: Base-Base interactions energy: -150.374 where: short stacking energy: -67.903 Base-Backbone interact. energy: -0.048 local terms energy: -71.847806 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -15.191 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -10.927 tors. eta vs tors. theta energy: -18.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -216.027017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.027017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.027017 (E_RNA) where: Base-Base interactions energy: -144.493 where: short stacking energy: -69.527 Base-Backbone interact. energy: -3.029 local terms energy: -68.504997 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -9.748 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: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -205.129176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.129176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.129176 (E_RNA) where: Base-Base interactions energy: -137.496 where: short stacking energy: -61.081 Base-Backbone interact. energy: -0.053 local terms energy: -67.580373 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -16.454 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -201.599306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.599306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.599306 (E_RNA) where: Base-Base interactions energy: -134.942 where: short stacking energy: -67.179 Base-Backbone interact. energy: -0.015 local terms energy: -66.642117 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -15.174 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -17.886 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: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -193.862733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.862733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.862733 (E_RNA) where: Base-Base interactions energy: -128.688 where: short stacking energy: -54.186 Base-Backbone interact. energy: 0.154 local terms energy: -65.328182 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: -15.503 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: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -206.713752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.713752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.713752 (E_RNA) where: Base-Base interactions energy: -133.197 where: short stacking energy: -62.515 Base-Backbone interact. energy: -0.003 local terms energy: -73.513730 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -11.689 flat angles C4'-P-C4' energy: -15.644 flat angles P-C4'-P energy: -12.582 tors. eta vs tors. theta energy: -19.320 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: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -202.587736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.587736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.587736 (E_RNA) where: Base-Base interactions energy: -140.424 where: short stacking energy: -57.303 Base-Backbone interact. energy: -0.707 local terms energy: -61.457258 where: bonds (distance) C4'-P energy: -9.769 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -15.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -80.275688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.275688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.275688 (E_RNA) where: Base-Base interactions energy: -29.846 where: short stacking energy: -29.846 Base-Backbone interact. energy: -0.270 local terms energy: -50.159365 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -160.514524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.514524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.514524 (E_RNA) where: Base-Base interactions energy: -106.323 where: short stacking energy: -45.239 Base-Backbone interact. energy: -0.063 local terms energy: -54.128032 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -8.754 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: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -81.096132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.096132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.096132 (E_RNA) where: Base-Base interactions energy: -33.128 where: short stacking energy: -30.680 Base-Backbone interact. energy: -0.091 local terms energy: -47.877896 where: bonds (distance) C4'-P energy: -9.783 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -13.067 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -8.296 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: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -222.894569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.894569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.894569 (E_RNA) where: Base-Base interactions energy: -148.670 where: short stacking energy: -65.184 Base-Backbone interact. energy: -0.087 local terms energy: -74.137196 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -15.106 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -21.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -222.241209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.241209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.241209 (E_RNA) where: Base-Base interactions energy: -153.362 where: short stacking energy: -68.375 Base-Backbone interact. energy: -0.053 local terms energy: -68.825618 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -15.890 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: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -200.726367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.726367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.726367 (E_RNA) where: Base-Base interactions energy: -132.443 where: short stacking energy: -59.534 Base-Backbone interact. energy: -0.296 local terms energy: -67.986887 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -16.447 flat angles C4'-P-C4' energy: -12.989 flat angles P-C4'-P energy: -9.453 tors. eta vs tors. theta energy: -15.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -200.685298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.685298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.685298 (E_RNA) where: Base-Base interactions energy: -129.953 where: short stacking energy: -58.116 Base-Backbone interact. energy: -0.028 local terms energy: -70.704668 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -14.725 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -12.508 tors. eta vs tors. theta energy: -14.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -206.806411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.806411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.806411 (E_RNA) where: Base-Base interactions energy: -137.763 where: short stacking energy: -66.149 Base-Backbone interact. energy: 0.003 local terms energy: -69.046249 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -14.672 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: -20.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -195.141456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.141456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.141456 (E_RNA) where: Base-Base interactions energy: -131.292 where: short stacking energy: -60.581 Base-Backbone interact. energy: -0.043 local terms energy: -63.806548 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -17.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -201.297143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.297143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.297143 (E_RNA) where: Base-Base interactions energy: -141.150 where: short stacking energy: -58.739 Base-Backbone interact. energy: -0.193 local terms energy: -59.954626 where: bonds (distance) C4'-P energy: -7.031 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -12.091 tors. eta vs tors. theta energy: -14.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -85.979431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.979431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.979431 (E_RNA) where: Base-Base interactions energy: -45.249 where: short stacking energy: -35.932 Base-Backbone interact. energy: -0.001 local terms energy: -40.728707 where: bonds (distance) C4'-P energy: -12.595 bonds (distance) P-C4' energy: -12.231 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: 0.468 tors. eta vs tors. theta energy: -7.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -164.413290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.413290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.413290 (E_RNA) where: Base-Base interactions energy: -106.277 where: short stacking energy: -50.357 Base-Backbone interact. energy: -0.007 local terms energy: -58.129297 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -11.314 flat angles C4'-P-C4' energy: -14.024 flat angles P-C4'-P energy: -9.278 tors. eta vs tors. theta energy: -11.937 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: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -75.713117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.713117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.713117 (E_RNA) where: Base-Base interactions energy: -28.738 where: short stacking energy: -28.738 Base-Backbone interact. energy: -0.270 local terms energy: -46.705014 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -13.288 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -2.956 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: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -218.731785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.731785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.731785 (E_RNA) where: Base-Base interactions energy: -149.282 where: short stacking energy: -66.541 Base-Backbone interact. energy: -0.017 local terms energy: -69.433075 where: bonds (distance) C4'-P energy: -13.450 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -18.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -215.106599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.106599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.106599 (E_RNA) where: Base-Base interactions energy: -145.545 where: short stacking energy: -65.885 Base-Backbone interact. energy: 0.719 local terms energy: -70.281194 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -18.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -213.991143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.991143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.991143 (E_RNA) where: Base-Base interactions energy: -145.543 where: short stacking energy: -65.525 Base-Backbone interact. energy: -0.004 local terms energy: -68.444177 where: bonds (distance) C4'-P energy: -15.849 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -15.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -214.007130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.007130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.007130 (E_RNA) where: Base-Base interactions energy: -143.739 where: short stacking energy: -66.912 Base-Backbone interact. energy: -0.413 local terms energy: -69.855003 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -15.507 flat angles P-C4'-P energy: -9.150 tors. eta vs tors. theta energy: -18.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -195.993200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.993200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.993200 (E_RNA) where: Base-Base interactions energy: -131.411 where: short stacking energy: -61.000 Base-Backbone interact. energy: 1.120 local terms energy: -65.701638 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -14.053 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -16.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -201.085104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.085104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.085104 (E_RNA) where: Base-Base interactions energy: -138.389 where: short stacking energy: -63.626 Base-Backbone interact. energy: -0.038 local terms energy: -62.658211 where: bonds (distance) C4'-P energy: -13.630 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -16.783 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: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -198.768060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.768060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.768060 (E_RNA) where: Base-Base interactions energy: -135.371 where: short stacking energy: -60.129 Base-Backbone interact. energy: -0.132 local terms energy: -63.265495 where: bonds (distance) C4'-P energy: -11.749 bonds (distance) P-C4' energy: -11.415 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: -18.878 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: 3 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -169.749606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.749606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.749606 (E_RNA) where: Base-Base interactions energy: -115.840 where: short stacking energy: -50.810 Base-Backbone interact. energy: -1.377 local terms energy: -52.532552 where: bonds (distance) C4'-P energy: -10.139 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -8.873 tors. eta vs tors. theta energy: -9.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -64.927894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.927894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.927894 (E_RNA) where: Base-Base interactions energy: -19.646 where: short stacking energy: -19.645 Base-Backbone interact. energy: -0.173 local terms energy: -45.108742 where: bonds (distance) C4'-P energy: -13.450 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: 0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -76.323569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.323569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.323569 (E_RNA) where: Base-Base interactions energy: -32.888 where: short stacking energy: -31.217 Base-Backbone interact. energy: -0.110 local terms energy: -43.325717 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -10.500 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -4.574 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: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -225.567078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.567078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.567078 (E_RNA) where: Base-Base interactions energy: -156.474 where: short stacking energy: -65.798 Base-Backbone interact. energy: -0.587 local terms energy: -68.505696 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -12.427 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -19.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -221.072185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.072185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.072185 (E_RNA) where: Base-Base interactions energy: -149.106 where: short stacking energy: -65.223 Base-Backbone interact. energy: -0.003 local terms energy: -71.963467 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -18.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -208.947462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.947462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.947462 (E_RNA) where: Base-Base interactions energy: -137.548 where: short stacking energy: -58.156 Base-Backbone interact. energy: -0.313 local terms energy: -71.086664 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -11.579 flat angles P-C4'-P energy: -11.568 tors. eta vs tors. theta energy: -20.291 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: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -207.344813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.344813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.344813 (E_RNA) where: Base-Base interactions energy: -136.805 where: short stacking energy: -67.344 Base-Backbone interact. energy: -0.018 local terms energy: -70.520917 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -20.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -207.405814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.405814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.405814 (E_RNA) where: Base-Base interactions energy: -136.588 where: short stacking energy: -56.343 Base-Backbone interact. energy: -0.008 local terms energy: -70.809555 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -16.933 flat angles C4'-P-C4' energy: -14.589 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -15.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -200.420653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.420653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.420653 (E_RNA) where: Base-Base interactions energy: -131.386 where: short stacking energy: -61.485 Base-Backbone interact. energy: -0.030 local terms energy: -69.005245 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: -16.302 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: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -172.954177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.954177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.954177 (E_RNA) where: Base-Base interactions energy: -104.753 where: short stacking energy: -52.718 Base-Backbone interact. energy: 0.784 local terms energy: -68.985490 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -16.805 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -13.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -179.990441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.990441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.990441 (E_RNA) where: Base-Base interactions energy: -122.380 where: short stacking energy: -51.970 Base-Backbone interact. energy: -0.019 local terms energy: -57.592205 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -10.715 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -15.697 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: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -77.028190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.028190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.028190 (E_RNA) where: Base-Base interactions energy: -28.234 where: short stacking energy: -28.234 Base-Backbone interact. energy: -0.181 local terms energy: -48.613399 where: bonds (distance) C4'-P energy: -15.124 bonds (distance) P-C4' energy: -11.564 flat angles C4'-P-C4' energy: -10.851 flat angles P-C4'-P energy: -2.014 tors. eta vs tors. theta energy: -9.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -74.415172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.415172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.415172 (E_RNA) where: Base-Base interactions energy: -32.630 where: short stacking energy: -32.630 Base-Backbone interact. energy: -0.161 local terms energy: -41.624928 where: bonds (distance) C4'-P energy: -10.748 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -220.060383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.060383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.060383 (E_RNA) where: Base-Base interactions energy: -149.864 where: short stacking energy: -67.762 Base-Backbone interact. energy: -0.420 local terms energy: -69.777352 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -17.063 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: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -217.813486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.813486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.813486 (E_RNA) where: Base-Base interactions energy: -148.412 where: short stacking energy: -64.785 Base-Backbone interact. energy: -0.343 local terms energy: -69.058594 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -18.377 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: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -218.916537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.916537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.916537 (E_RNA) where: Base-Base interactions energy: -146.368 where: short stacking energy: -67.000 Base-Backbone interact. energy: 0.063 local terms energy: -72.611408 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -18.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -208.236250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.236250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.236250 (E_RNA) where: Base-Base interactions energy: -148.640 where: short stacking energy: -59.802 Base-Backbone interact. energy: -1.062 local terms energy: -58.534655 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -12.002 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -16.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -203.420522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.420522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.420522 (E_RNA) where: Base-Base interactions energy: -137.301 where: short stacking energy: -68.535 Base-Backbone interact. energy: -0.047 local terms energy: -66.072087 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -15.909 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -16.339 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: 6, replica: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -206.030802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.030802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.030802 (E_RNA) where: Base-Base interactions energy: -142.295 where: short stacking energy: -57.782 Base-Backbone interact. energy: -0.173 local terms energy: -63.562442 where: bonds (distance) C4'-P energy: -15.095 bonds (distance) P-C4' energy: -9.651 flat angles C4'-P-C4' energy: -14.742 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -15.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -193.955491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.955491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.955491 (E_RNA) where: Base-Base interactions energy: -134.705 where: short stacking energy: -55.939 Base-Backbone interact. energy: -0.102 local terms energy: -59.149240 where: bonds (distance) C4'-P energy: -12.529 bonds (distance) P-C4' energy: -10.008 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -17.311 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: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -184.182294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.182294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.182294 (E_RNA) where: Base-Base interactions energy: -123.158 where: short stacking energy: -53.345 Base-Backbone interact. energy: -0.580 local terms energy: -60.443882 where: bonds (distance) C4'-P energy: -11.382 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -6.936 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: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -86.422162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.422162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.422162 (E_RNA) where: Base-Base interactions energy: -33.409 where: short stacking energy: -33.409 Base-Backbone interact. energy: -0.115 local terms energy: -52.898537 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -11.555 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -5.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -74.505645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.505645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.505645 (E_RNA) where: Base-Base interactions energy: -26.882 where: short stacking energy: -26.882 Base-Backbone interact. energy: 0.104 local terms energy: -47.728097 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -220.927043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.927043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.927043 (E_RNA) where: Base-Base interactions energy: -156.279 where: short stacking energy: -64.914 Base-Backbone interact. energy: -0.016 local terms energy: -64.631792 where: bonds (distance) C4'-P energy: -10.160 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -10.729 tors. eta vs tors. theta energy: -16.355 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: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -219.144000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.144000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.144000 (E_RNA) where: Base-Base interactions energy: -147.612 where: short stacking energy: -63.961 Base-Backbone interact. energy: -0.096 local terms energy: -71.436319 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -15.071 flat angles C4'-P-C4' energy: -11.295 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -20.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -214.860657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.860657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.860657 (E_RNA) where: Base-Base interactions energy: -143.312 where: short stacking energy: -63.225 Base-Backbone interact. energy: -0.489 local terms energy: -71.059165 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -11.614 tors. eta vs tors. theta energy: -19.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -209.338492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.338492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.338492 (E_RNA) where: Base-Base interactions energy: -145.004 where: short stacking energy: -60.513 Base-Backbone interact. energy: 2.132 local terms energy: -66.466443 where: bonds (distance) C4'-P energy: -9.878 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -17.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -212.132189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.132189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.132189 (E_RNA) where: Base-Base interactions energy: -137.167 where: short stacking energy: -64.452 Base-Backbone interact. energy: -0.005 local terms energy: -74.960100 where: bonds (distance) C4'-P energy: -15.442 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -15.860 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -20.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -191.094364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.094364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.094364 (E_RNA) where: Base-Base interactions energy: -125.258 where: short stacking energy: -53.969 Base-Backbone interact. energy: -0.006 local terms energy: -65.831123 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -11.629 tors. eta vs tors. theta energy: -16.433 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: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -197.999688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.999688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.999688 (E_RNA) where: Base-Base interactions energy: -127.831 where: short stacking energy: -56.658 Base-Backbone interact. energy: -0.046 local terms energy: -70.122771 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -17.701 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: 84 Temperature: 1.250000 Total energy: -177.373514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.373514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.373514 (E_RNA) where: Base-Base interactions energy: -117.185 where: short stacking energy: -48.460 Base-Backbone interact. energy: -0.012 local terms energy: -60.176073 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -14.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -73.724403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.724403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.724403 (E_RNA) where: Base-Base interactions energy: -35.073 where: short stacking energy: -33.254 Base-Backbone interact. energy: -0.203 local terms energy: -38.448441 where: bonds (distance) C4'-P energy: -9.613 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -106.974801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.974801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.974801 (E_RNA) where: Base-Base interactions energy: -59.549 where: short stacking energy: -31.464 Base-Backbone interact. energy: -0.251 local terms energy: -47.174227 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -11.970 flat angles C4'-P-C4' energy: -13.917 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: 1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -223.308373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.308373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.308373 (E_RNA) where: Base-Base interactions energy: -151.405 where: short stacking energy: -66.954 Base-Backbone interact. energy: -1.171 local terms energy: -70.731912 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -16.595 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -20.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -221.458096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.458096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.458096 (E_RNA) where: Base-Base interactions energy: -145.201 where: short stacking energy: -63.953 Base-Backbone interact. energy: -0.876 local terms energy: -75.381387 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -17.123 flat angles P-C4'-P energy: -11.522 tors. eta vs tors. theta energy: -18.074 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: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -217.652987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.652987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.652987 (E_RNA) where: Base-Base interactions energy: -149.322 where: short stacking energy: -71.233 Base-Backbone interact. energy: -0.001 local terms energy: -68.330676 where: bonds (distance) C4'-P energy: -11.199 bonds (distance) P-C4' energy: -14.806 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -9.269 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: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -203.924783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.924783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.924783 (E_RNA) where: Base-Base interactions energy: -134.855 where: short stacking energy: -54.276 Base-Backbone interact. energy: -0.009 local terms energy: -69.061069 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -19.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -213.271416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.271416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.271416 (E_RNA) where: Base-Base interactions energy: -148.436 where: short stacking energy: -64.919 Base-Backbone interact. energy: 0.049 local terms energy: -64.884680 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -11.303 flat angles C4'-P-C4' energy: -14.798 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -19.104 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: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -193.457280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.457280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.457280 (E_RNA) where: Base-Base interactions energy: -128.208 where: short stacking energy: -58.562 Base-Backbone interact. energy: -0.112 local terms energy: -65.137570 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -15.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -188.042830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.042830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.042830 (E_RNA) where: Base-Base interactions energy: -132.856 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.639 local terms energy: -54.548003 where: bonds (distance) C4'-P energy: -9.778 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -8.999 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -16.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -184.168186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.168186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.168186 (E_RNA) where: Base-Base interactions energy: -129.197 where: short stacking energy: -57.336 Base-Backbone interact. energy: -0.299 local terms energy: -54.671729 where: bonds (distance) C4'-P energy: -9.224 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -15.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -82.534404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.534404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.534404 (E_RNA) where: Base-Base interactions energy: -36.960 where: short stacking energy: -29.414 Base-Backbone interact. energy: -0.296 local terms energy: -45.278270 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -13.248 flat angles C4'-P-C4' energy: -9.190 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -74.598479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.598479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.598479 (E_RNA) where: Base-Base interactions energy: -40.158 where: short stacking energy: -30.466 Base-Backbone interact. energy: -0.051 local terms energy: -34.389039 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -9.410 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -7.968 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -219.445402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.445402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.445402 (E_RNA) where: Base-Base interactions energy: -146.584 where: short stacking energy: -65.757 Base-Backbone interact. energy: -0.076 local terms energy: -72.785316 where: bonds (distance) C4'-P energy: -16.286 bonds (distance) P-C4' energy: -12.139 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -18.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -222.394756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.394756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.394756 (E_RNA) where: Base-Base interactions energy: -151.125 where: short stacking energy: -67.071 Base-Backbone interact. energy: -0.009 local terms energy: -71.260771 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -19.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -211.989400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.989400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.989400 (E_RNA) where: Base-Base interactions energy: -146.554 where: short stacking energy: -72.944 Base-Backbone interact. energy: -0.460 local terms energy: -64.974643 where: bonds (distance) C4'-P energy: -10.020 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -19.344 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: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -210.832309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.832309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.832309 (E_RNA) where: Base-Base interactions energy: -142.376 where: short stacking energy: -60.467 Base-Backbone interact. energy: -0.228 local terms energy: -68.227936 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -14.056 flat angles C4'-P-C4' energy: -16.733 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -16.768 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: 5, replica: 5 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -198.444625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.444625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.444625 (E_RNA) where: Base-Base interactions energy: -135.106 where: short stacking energy: -53.375 Base-Backbone interact. energy: -0.199 local terms energy: -63.140390 where: bonds (distance) C4'-P energy: -15.782 bonds (distance) P-C4' energy: -8.191 flat angles C4'-P-C4' energy: -15.594 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -13.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -161.792425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.792425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.792425 (E_RNA) where: Base-Base interactions energy: -104.926 where: short stacking energy: -46.233 Base-Backbone interact. energy: -0.120 local terms energy: -56.746481 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -11.184 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -13.365 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: 1 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -189.934824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.934824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.934824 (E_RNA) where: Base-Base interactions energy: -129.144 where: short stacking energy: -55.711 Base-Backbone interact. energy: -0.019 local terms energy: -60.771729 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -10.387 flat angles C4'-P-C4' energy: -15.319 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -14.401 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: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -177.511581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.511581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.511581 (E_RNA) where: Base-Base interactions energy: -118.434 where: short stacking energy: -58.796 Base-Backbone interact. energy: -0.384 local terms energy: -58.693091 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -10.375 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -14.976 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: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -75.157152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.157152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.157152 (E_RNA) where: Base-Base interactions energy: -32.178 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.226 local terms energy: -42.753345 where: bonds (distance) C4'-P energy: -11.806 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -0.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -77.797076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.797076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.797076 (E_RNA) where: Base-Base interactions energy: -30.489 where: short stacking energy: -20.284 Base-Backbone interact. energy: 0.106 local terms energy: -47.414477 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -14.225 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -223.293394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.293394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.293394 (E_RNA) where: Base-Base interactions energy: -147.633 where: short stacking energy: -65.494 Base-Backbone interact. energy: 0.198 local terms energy: -75.859163 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -16.688 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -13.864 tors. eta vs tors. theta energy: -19.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -215.868785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.868785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.868785 (E_RNA) where: Base-Base interactions energy: -145.402 where: short stacking energy: -63.538 Base-Backbone interact. energy: -0.035 local terms energy: -70.431926 where: bonds (distance) C4'-P energy: -13.025 bonds (distance) P-C4' energy: -13.978 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -16.852 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: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -214.751549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.751549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.751549 (E_RNA) where: Base-Base interactions energy: -147.848 where: short stacking energy: -64.212 Base-Backbone interact. energy: 0.318 local terms energy: -67.221564 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -10.311 flat angles P-C4'-P energy: -9.684 tors. eta vs tors. theta energy: -17.946 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: 87 Temperature: 1.050000 Total energy: -212.775347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.775347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.775347 (E_RNA) where: Base-Base interactions energy: -146.365 where: short stacking energy: -65.406 Base-Backbone interact. energy: -0.029 local terms energy: -66.381729 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -8.716 flat angles C4'-P-C4' energy: -15.162 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -207.148196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.148196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.148196 (E_RNA) where: Base-Base interactions energy: -137.035 where: short stacking energy: -54.576 Base-Backbone interact. energy: -0.094 local terms energy: -70.019943 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -13.195 tors. eta vs tors. theta energy: -15.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -196.575015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.575015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.575015 (E_RNA) where: Base-Base interactions energy: -133.284 where: short stacking energy: -59.323 Base-Backbone interact. energy: 2.102 local terms energy: -65.393613 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -19.428 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: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -154.284511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.284511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.284511 (E_RNA) where: Base-Base interactions energy: -101.492 where: short stacking energy: -52.531 Base-Backbone interact. energy: -0.079 local terms energy: -52.713298 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -12.001 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -12.087 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: 87 Temperature: 1.250000 Total energy: -144.972731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.972731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.972731 (E_RNA) where: Base-Base interactions energy: -89.658 where: short stacking energy: -43.120 Base-Backbone interact. energy: 2.412 local terms energy: -57.726640 where: bonds (distance) C4'-P energy: -10.193 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -14.237 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: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -81.561706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.561706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.561706 (E_RNA) where: Base-Base interactions energy: -28.365 where: short stacking energy: -25.003 Base-Backbone interact. energy: -0.277 local terms energy: -52.919370 where: bonds (distance) C4'-P energy: -10.545 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -65.692945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.692945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.692945 (E_RNA) where: Base-Base interactions energy: -21.608 where: short stacking energy: -21.130 Base-Backbone interact. energy: -0.005 local terms energy: -44.079057 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: 2.683 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: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -225.761918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.761918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.761918 (E_RNA) where: Base-Base interactions energy: -149.229 where: short stacking energy: -65.624 Base-Backbone interact. energy: -0.029 local terms energy: -76.504090 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -16.427 flat angles P-C4'-P energy: -12.692 tors. eta vs tors. theta energy: -20.082 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: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -215.910464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.910464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.910464 (E_RNA) where: Base-Base interactions energy: -146.188 where: short stacking energy: -63.658 Base-Backbone interact. energy: -0.186 local terms energy: -69.536379 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -9.150 tors. eta vs tors. theta energy: -16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -222.607145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.607145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.607145 (E_RNA) where: Base-Base interactions energy: -148.060 where: short stacking energy: -62.377 Base-Backbone interact. energy: -0.126 local terms energy: -74.420507 where: bonds (distance) C4'-P energy: -13.723 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -15.549 flat angles P-C4'-P energy: -10.929 tors. eta vs tors. theta energy: -19.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -210.764775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.764775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.764775 (E_RNA) where: Base-Base interactions energy: -144.419 where: short stacking energy: -62.329 Base-Backbone interact. energy: -0.013 local terms energy: -66.332166 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -12.869 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -16.826 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: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -198.490116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.490116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.490116 (E_RNA) where: Base-Base interactions energy: -138.212 where: short stacking energy: -59.158 Base-Backbone interact. energy: -0.098 local terms energy: -60.180507 where: bonds (distance) C4'-P energy: -9.625 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -9.467 flat angles P-C4'-P energy: -12.955 tors. eta vs tors. theta energy: -16.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -200.788426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.788426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.788426 (E_RNA) where: Base-Base interactions energy: -131.965 where: short stacking energy: -62.520 Base-Backbone interact. energy: -0.324 local terms energy: -68.499103 where: bonds (distance) C4'-P energy: -12.980 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -9.283 tors. eta vs tors. theta energy: -17.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -181.988202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.988202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.988202 (E_RNA) where: Base-Base interactions energy: -125.354 where: short stacking energy: -54.570 Base-Backbone interact. energy: -0.188 local terms energy: -56.446714 where: bonds (distance) C4'-P energy: -10.595 bonds (distance) P-C4' energy: -11.052 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -13.984 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: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -156.091021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.091021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.091021 (E_RNA) where: Base-Base interactions energy: -98.986 where: short stacking energy: -49.482 Base-Backbone interact. energy: -0.099 local terms energy: -57.005664 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -10.541 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -10.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -82.037991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.037991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.037991 (E_RNA) where: Base-Base interactions energy: -37.778 where: short stacking energy: -28.891 Base-Backbone interact. energy: 0.217 local terms energy: -44.477561 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -79.301101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.301101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.301101 (E_RNA) where: Base-Base interactions energy: -32.600 where: short stacking energy: -32.161 Base-Backbone interact. energy: 0.218 local terms energy: -46.919397 where: bonds (distance) C4'-P energy: -10.292 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -225.028099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.028099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.028099 (E_RNA) where: Base-Base interactions energy: -155.333 where: short stacking energy: -70.373 Base-Backbone interact. energy: -0.003 local terms energy: -69.692731 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -21.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -224.973171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.973171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.973171 (E_RNA) where: Base-Base interactions energy: -150.623 where: short stacking energy: -66.218 Base-Backbone interact. energy: -2.209 local terms energy: -72.140623 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -20.765 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: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -211.246524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.246524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.246524 (E_RNA) where: Base-Base interactions energy: -141.564 where: short stacking energy: -60.366 Base-Backbone interact. energy: -0.966 local terms energy: -68.716803 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -17.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -213.327795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.327795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.327795 (E_RNA) where: Base-Base interactions energy: -146.262 where: short stacking energy: -62.367 Base-Backbone interact. energy: 0.336 local terms energy: -67.402465 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -9.613 flat angles C4'-P-C4' energy: -15.150 flat angles P-C4'-P energy: -13.056 tors. eta vs tors. theta energy: -18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -207.885058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.885058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.885058 (E_RNA) where: Base-Base interactions energy: -142.995 where: short stacking energy: -57.097 Base-Backbone interact. energy: -0.078 local terms energy: -64.811300 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -11.607 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -18.071 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: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -203.601361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.601361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.601361 (E_RNA) where: Base-Base interactions energy: -139.304 where: short stacking energy: -63.336 Base-Backbone interact. energy: -0.105 local terms energy: -64.192955 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -8.519 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: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -192.272008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.272008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.272008 (E_RNA) where: Base-Base interactions energy: -135.923 where: short stacking energy: -54.058 Base-Backbone interact. energy: -0.258 local terms energy: -56.090797 where: bonds (distance) C4'-P energy: -10.769 bonds (distance) P-C4' energy: -8.593 flat angles C4'-P-C4' energy: -14.546 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -13.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -150.881768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.881768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.881768 (E_RNA) where: Base-Base interactions energy: -95.566 where: short stacking energy: -53.895 Base-Backbone interact. energy: -0.178 local terms energy: -55.137683 where: bonds (distance) C4'-P energy: -10.453 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -15.057 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: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -82.503418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.503418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.503418 (E_RNA) where: Base-Base interactions energy: -29.914 where: short stacking energy: -28.356 Base-Backbone interact. energy: -0.616 local terms energy: -51.973390 where: bonds (distance) C4'-P energy: -16.245 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -9.123 flat angles P-C4'-P energy: -8.528 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: 89 Temperature: 1.350000 Total energy: -72.844540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.844540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.844540 (E_RNA) where: Base-Base interactions energy: -25.721 where: short stacking energy: -23.695 Base-Backbone interact. energy: -0.242 local terms energy: -46.882214 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -13.675 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -0.100 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: 90 Temperature: 0.900000 Total energy: -219.803638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.803638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.803638 (E_RNA) where: Base-Base interactions energy: -155.277 where: short stacking energy: -67.754 Base-Backbone interact. energy: -0.007 local terms energy: -64.519207 where: bonds (distance) C4'-P energy: -13.729 bonds (distance) P-C4' energy: -10.978 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -18.513 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: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -216.048745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.048745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.048745 (E_RNA) where: Base-Base interactions energy: -148.871 where: short stacking energy: -68.568 Base-Backbone interact. energy: 1.054 local terms energy: -68.231988 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -11.549 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -18.765 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: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -210.738685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.738685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.738685 (E_RNA) where: Base-Base interactions energy: -144.596 where: short stacking energy: -65.176 Base-Backbone interact. energy: -0.003 local terms energy: -66.140172 where: bonds (distance) C4'-P energy: -15.617 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -13.067 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -20.147 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: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -211.173781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.173781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.173781 (E_RNA) where: Base-Base interactions energy: -141.848 where: short stacking energy: -62.179 Base-Backbone interact. energy: -0.575 local terms energy: -68.750314 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -15.485 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -19.306 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: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -207.136902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.136902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.136902 (E_RNA) where: Base-Base interactions energy: -144.444 where: short stacking energy: -64.427 Base-Backbone interact. energy: -0.002 local terms energy: -62.690465 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -11.450 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -18.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -192.034313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.034313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.034313 (E_RNA) where: Base-Base interactions energy: -132.397 where: short stacking energy: -62.377 Base-Backbone interact. energy: 0.051 local terms energy: -59.688099 where: bonds (distance) C4'-P energy: -9.515 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -17.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -187.482554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.482554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.482554 (E_RNA) where: Base-Base interactions energy: -123.267 where: short stacking energy: -55.408 Base-Backbone interact. energy: -0.019 local terms energy: -64.196381 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -17.351 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: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -140.632101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.632101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.632101 (E_RNA) where: Base-Base interactions energy: -87.632 where: short stacking energy: -41.514 Base-Backbone interact. energy: -0.024 local terms energy: -52.976574 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -12.633 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -12.370 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: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -80.907124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.907124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.907124 (E_RNA) where: Base-Base interactions energy: -33.792 where: short stacking energy: -27.878 Base-Backbone interact. energy: -0.139 local terms energy: -46.975589 where: bonds (distance) C4'-P energy: -11.575 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -8.314 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -76.692225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.692225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.692225 (E_RNA) where: Base-Base interactions energy: -39.291 where: short stacking energy: -30.092 Base-Backbone interact. energy: -0.178 local terms energy: -37.223247 where: bonds (distance) C4'-P energy: -8.421 bonds (distance) P-C4' energy: -13.300 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -1.639 tors. eta vs tors. theta energy: -1.292 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: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -216.286398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.286398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.286398 (E_RNA) where: Base-Base interactions energy: -150.433 where: short stacking energy: -67.256 Base-Backbone interact. energy: -0.072 local terms energy: -65.781232 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -18.707 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: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -214.272033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.272033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.272033 (E_RNA) where: Base-Base interactions energy: -144.547 where: short stacking energy: -60.792 Base-Backbone interact. energy: -0.270 local terms energy: -69.455345 where: bonds (distance) C4'-P energy: -12.631 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -12.197 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: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -219.605718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.605718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.605718 (E_RNA) where: Base-Base interactions energy: -145.390 where: short stacking energy: -66.967 Base-Backbone interact. energy: -0.176 local terms energy: -74.040139 where: bonds (distance) C4'-P energy: -14.345 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -14.821 flat angles P-C4'-P energy: -10.084 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: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -207.331393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.331393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.331393 (E_RNA) where: Base-Base interactions energy: -141.914 where: short stacking energy: -61.682 Base-Backbone interact. energy: -0.045 local terms energy: -65.372237 where: bonds (distance) C4'-P energy: -10.955 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -15.684 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -17.760 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: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -202.718401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.718401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.718401 (E_RNA) where: Base-Base interactions energy: -138.795 where: short stacking energy: -56.807 Base-Backbone interact. energy: 0.067 local terms energy: -63.990376 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -10.645 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -9.388 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: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -189.233757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.233757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.233757 (E_RNA) where: Base-Base interactions energy: -122.947 where: short stacking energy: -54.990 Base-Backbone interact. energy: -0.031 local terms energy: -66.255474 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -12.319 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -182.841708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.841708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.841708 (E_RNA) where: Base-Base interactions energy: -117.643 where: short stacking energy: -50.072 Base-Backbone interact. energy: -0.233 local terms energy: -64.965615 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -13.461 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -16.446 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: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -132.577424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.577424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.577424 (E_RNA) where: Base-Base interactions energy: -75.229 where: short stacking energy: -44.806 Base-Backbone interact. energy: -0.041 local terms energy: -57.307660 where: bonds (distance) C4'-P energy: -10.698 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -14.275 flat angles P-C4'-P energy: -9.489 tors. eta vs tors. theta energy: -7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -82.162217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.162217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.162217 (E_RNA) where: Base-Base interactions energy: -31.316 where: short stacking energy: -31.316 Base-Backbone interact. energy: -0.004 local terms energy: -50.841430 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -11.006 flat angles P-C4'-P energy: -10.247 tors. eta vs tors. theta energy: -3.603 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: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -68.465246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.465246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.465246 (E_RNA) where: Base-Base interactions energy: -21.754 where: short stacking energy: -21.754 Base-Backbone interact. energy: 0.204 local terms energy: -46.915972 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: 0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -225.505279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.505279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.505279 (E_RNA) where: Base-Base interactions energy: -146.651 where: short stacking energy: -67.279 Base-Backbone interact. energy: -3.066 local terms energy: -75.788637 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -14.591 flat angles P-C4'-P energy: -13.854 tors. eta vs tors. theta energy: -19.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -221.783925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.783925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.783925 (E_RNA) where: Base-Base interactions energy: -148.402 where: short stacking energy: -68.954 Base-Backbone interact. energy: -0.007 local terms energy: -73.375093 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -20.075 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: 3, replica: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -222.871511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.871511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.871511 (E_RNA) where: Base-Base interactions energy: -149.320 where: short stacking energy: -67.617 Base-Backbone interact. energy: -0.050 local terms energy: -73.501062 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -12.812 tors. eta vs tors. theta energy: -20.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -212.657339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.657339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.657339 (E_RNA) where: Base-Base interactions energy: -147.772 where: short stacking energy: -64.315 Base-Backbone interact. energy: -0.002 local terms energy: -64.883233 where: bonds (distance) C4'-P energy: -10.491 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -17.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -189.738480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.738480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.738480 (E_RNA) where: Base-Base interactions energy: -121.142 where: short stacking energy: -55.231 Base-Backbone interact. energy: -0.015 local terms energy: -68.581671 where: bonds (distance) C4'-P energy: -14.065 bonds (distance) P-C4' energy: -13.277 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -16.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -205.117275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.117275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.117275 (E_RNA) where: Base-Base interactions energy: -135.970 where: short stacking energy: -55.087 Base-Backbone interact. energy: -1.062 local terms energy: -68.085338 where: bonds (distance) C4'-P energy: -15.695 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -14.761 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -16.458 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: 9 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -127.233409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.233409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.233409 (E_RNA) where: Base-Base interactions energy: -79.515 where: short stacking energy: -50.968 Base-Backbone interact. energy: -0.003 local terms energy: -47.714705 where: bonds (distance) C4'-P energy: -9.401 bonds (distance) P-C4' energy: -11.010 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -10.163 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: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -140.585918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.585918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.585918 (E_RNA) where: Base-Base interactions energy: -93.117 where: short stacking energy: -44.253 Base-Backbone interact. energy: -0.569 local terms energy: -46.899517 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -9.169 flat angles C4'-P-C4' energy: -9.117 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -10.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -90.329726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.329726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.329726 (E_RNA) where: Base-Base interactions energy: -38.671 where: short stacking energy: -35.925 Base-Backbone interact. energy: -0.079 local terms energy: -51.579780 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -12.350 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -9.897 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -80.387409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.387409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.387409 (E_RNA) where: Base-Base interactions energy: -44.763 where: short stacking energy: -30.863 Base-Backbone interact. energy: 0.374 local terms energy: -35.998698 where: bonds (distance) C4'-P energy: -8.827 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: 3.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -217.539208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.539208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.539208 (E_RNA) where: Base-Base interactions energy: -143.429 where: short stacking energy: -64.528 Base-Backbone interact. energy: -0.140 local terms energy: -73.969970 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -11.980 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: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -211.796599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.796599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.796599 (E_RNA) where: Base-Base interactions energy: -149.023 where: short stacking energy: -58.542 Base-Backbone interact. energy: -0.000 local terms energy: -62.773357 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -16.395 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: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -213.845622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.845622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.845622 (E_RNA) where: Base-Base interactions energy: -147.964 where: short stacking energy: -58.726 Base-Backbone interact. energy: -0.046 local terms energy: -65.835701 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -16.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -209.012127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.012127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.012127 (E_RNA) where: Base-Base interactions energy: -147.273 where: short stacking energy: -57.214 Base-Backbone interact. energy: -0.122 local terms energy: -61.617081 where: bonds (distance) C4'-P energy: -11.498 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -14.658 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: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -192.562704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.562704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.562704 (E_RNA) where: Base-Base interactions energy: -128.073 where: short stacking energy: -57.068 Base-Backbone interact. energy: -0.091 local terms energy: -64.399465 where: bonds (distance) C4'-P energy: -13.394 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -13.185 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: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -195.029639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.029639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.029639 (E_RNA) where: Base-Base interactions energy: -133.378 where: short stacking energy: -57.071 Base-Backbone interact. energy: -0.004 local terms energy: -61.647359 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -11.441 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -19.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -188.261027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.261027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.261027 (E_RNA) where: Base-Base interactions energy: -127.913 where: short stacking energy: -57.579 Base-Backbone interact. energy: -0.735 local terms energy: -59.612365 where: bonds (distance) C4'-P energy: -8.615 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -13.073 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -17.564 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: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -153.405594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.405594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.405594 (E_RNA) where: Base-Base interactions energy: -96.149 where: short stacking energy: -55.410 Base-Backbone interact. energy: -0.077 local terms energy: -57.180034 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -74.803977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.803977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.803977 (E_RNA) where: Base-Base interactions energy: -29.589 where: short stacking energy: -28.708 Base-Backbone interact. energy: -0.242 local terms energy: -44.973271 where: bonds (distance) C4'-P energy: -9.989 bonds (distance) P-C4' energy: -11.033 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -76.277471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.277471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.277471 (E_RNA) where: Base-Base interactions energy: -32.957 where: short stacking energy: -32.563 Base-Backbone interact. energy: -0.030 local terms energy: -43.290320 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -10.772 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -11.530 tors. eta vs tors. theta energy: -5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -219.957584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.957584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.957584 (E_RNA) where: Base-Base interactions energy: -147.954 where: short stacking energy: -62.870 Base-Backbone interact. energy: -0.089 local terms energy: -71.914263 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -12.712 tors. eta vs tors. theta energy: -17.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -218.672800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.672800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.672800 (E_RNA) where: Base-Base interactions energy: -151.256 where: short stacking energy: -69.615 Base-Backbone interact. energy: -0.588 local terms energy: -66.828392 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -19.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -216.356274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.356274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.356274 (E_RNA) where: Base-Base interactions energy: -145.647 where: short stacking energy: -56.386 Base-Backbone interact. energy: -0.095 local terms energy: -70.614507 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -17.380 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: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -203.653361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.653361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.653361 (E_RNA) where: Base-Base interactions energy: -140.603 where: short stacking energy: -62.095 Base-Backbone interact. energy: 0.703 local terms energy: -63.753398 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -15.975 flat angles P-C4'-P energy: -8.932 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -206.039639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.039639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.039639 (E_RNA) where: Base-Base interactions energy: -138.968 where: short stacking energy: -55.913 Base-Backbone interact. energy: -0.106 local terms energy: -66.965567 where: bonds (distance) C4'-P energy: -14.899 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -11.020 tors. eta vs tors. theta energy: -12.516 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: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -191.439600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.439600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.439600 (E_RNA) where: Base-Base interactions energy: -123.170 where: short stacking energy: -57.472 Base-Backbone interact. energy: -0.098 local terms energy: -68.171791 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -16.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -182.661902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.661902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.661902 (E_RNA) where: Base-Base interactions energy: -122.605 where: short stacking energy: -53.329 Base-Backbone interact. energy: -0.050 local terms energy: -60.006904 where: bonds (distance) C4'-P energy: -10.674 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -11.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -125.885040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.885040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.885040 (E_RNA) where: Base-Base interactions energy: -79.594 where: short stacking energy: -37.807 Base-Backbone interact. energy: -1.439 local terms energy: -44.852209 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -11.180 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -3.681 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: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -76.530728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.530728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.530728 (E_RNA) where: Base-Base interactions energy: -24.574 where: short stacking energy: -10.451 Base-Backbone interact. energy: -0.024 local terms energy: -51.933091 where: bonds (distance) C4'-P energy: -12.266 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -12.324 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -72.115004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.115004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.115004 (E_RNA) where: Base-Base interactions energy: -28.063 where: short stacking energy: -28.063 Base-Backbone interact. energy: -0.185 local terms energy: -43.866558 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -230.237952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.237952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.237952 (E_RNA) where: Base-Base interactions energy: -154.524 where: short stacking energy: -63.056 Base-Backbone interact. energy: -0.581 local terms energy: -75.132600 where: bonds (distance) C4'-P energy: -12.450 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -16.030 flat angles P-C4'-P energy: -11.326 tors. eta vs tors. theta energy: -18.658 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: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -219.737508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.737508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.737508 (E_RNA) where: Base-Base interactions energy: -150.642 where: short stacking energy: -70.413 Base-Backbone interact. energy: -0.012 local terms energy: -69.084194 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -19.823 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: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -215.200430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.200430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.200430 (E_RNA) where: Base-Base interactions energy: -143.450 where: short stacking energy: -65.902 Base-Backbone interact. energy: -0.000 local terms energy: -71.750069 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -20.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -205.339448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.339448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.339448 (E_RNA) where: Base-Base interactions energy: -141.406 where: short stacking energy: -57.413 Base-Backbone interact. energy: 0.034 local terms energy: -63.968058 where: bonds (distance) C4'-P energy: -9.899 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -15.329 flat angles P-C4'-P energy: -11.370 tors. eta vs tors. theta energy: -12.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -205.731152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.731152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.731152 (E_RNA) where: Base-Base interactions energy: -139.762 where: short stacking energy: -62.349 Base-Backbone interact. energy: -0.006 local terms energy: -65.963583 where: bonds (distance) C4'-P energy: -12.546 bonds (distance) P-C4' energy: -10.275 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -19.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -188.908999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.908999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.908999 (E_RNA) where: Base-Base interactions energy: -128.713 where: short stacking energy: -60.655 Base-Backbone interact. energy: -0.095 local terms energy: -60.101267 where: bonds (distance) C4'-P energy: -9.267 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -9.480 tors. eta vs tors. theta energy: -14.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -182.610075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.610075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.610075 (E_RNA) where: Base-Base interactions energy: -118.794 where: short stacking energy: -59.020 Base-Backbone interact. energy: -0.031 local terms energy: -63.785005 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -10.894 tors. eta vs tors. theta energy: -13.176 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: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -183.105796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.105796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.105796 (E_RNA) where: Base-Base interactions energy: -120.905 where: short stacking energy: -51.304 Base-Backbone interact. energy: -0.046 local terms energy: -62.154056 where: bonds (distance) C4'-P energy: -15.637 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -10.554 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -13.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -69.578044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.578044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.578044 (E_RNA) where: Base-Base interactions energy: -26.369 where: short stacking energy: -26.369 Base-Backbone interact. energy: -0.260 local terms energy: -42.949125 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -9.485 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -78.430043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.430043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.430043 (E_RNA) where: Base-Base interactions energy: -25.589 where: short stacking energy: -25.589 Base-Backbone interact. energy: -0.017 local terms energy: -52.824122 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -11.057 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -224.208082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.208082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.208082 (E_RNA) where: Base-Base interactions energy: -151.742 where: short stacking energy: -63.566 Base-Backbone interact. energy: -0.011 local terms energy: -72.454687 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -14.759 flat angles P-C4'-P energy: -7.771 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: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -219.851368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.851368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.851368 (E_RNA) where: Base-Base interactions energy: -146.341 where: short stacking energy: -59.564 Base-Backbone interact. energy: -0.064 local terms energy: -73.446323 where: bonds (distance) C4'-P energy: -14.590 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -10.788 tors. eta vs tors. theta energy: -19.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -201.340625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.340625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.340625 (E_RNA) where: Base-Base interactions energy: -135.483 where: short stacking energy: -54.583 Base-Backbone interact. energy: -0.201 local terms energy: -65.656881 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -13.477 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: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -211.621469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.621469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.621469 (E_RNA) where: Base-Base interactions energy: -142.036 where: short stacking energy: -63.780 Base-Backbone interact. energy: -0.594 local terms energy: -68.991827 where: bonds (distance) C4'-P energy: -9.320 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -196.108202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.108202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.108202 (E_RNA) where: Base-Base interactions energy: -130.624 where: short stacking energy: -56.989 Base-Backbone interact. energy: -0.063 local terms energy: -65.421228 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -14.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -201.791595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.791595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.791595 (E_RNA) where: Base-Base interactions energy: -137.217 where: short stacking energy: -61.209 Base-Backbone interact. energy: -0.020 local terms energy: -64.554569 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -8.265 tors. eta vs tors. theta energy: -15.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -185.965246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.965246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.965246 (E_RNA) where: Base-Base interactions energy: -128.017 where: short stacking energy: -58.724 Base-Backbone interact. energy: -0.107 local terms energy: -57.841484 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -9.288 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: -15.467 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: 96 Temperature: 1.250000 Total energy: -185.119010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.119010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.119010 (E_RNA) where: Base-Base interactions energy: -119.234 where: short stacking energy: -51.757 Base-Backbone interact. energy: 0.230 local terms energy: -66.115551 where: bonds (distance) C4'-P energy: -10.383 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -10.569 tors. eta vs tors. theta energy: -17.414 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: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -80.884140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.884140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.884140 (E_RNA) where: Base-Base interactions energy: -36.468 where: short stacking energy: -30.663 Base-Backbone interact. energy: 0.348 local terms energy: -44.764093 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -81.648941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.648941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.648941 (E_RNA) where: Base-Base interactions energy: -32.752 where: short stacking energy: -25.275 Base-Backbone interact. energy: -0.106 local terms energy: -48.791092 where: bonds (distance) C4'-P energy: -10.727 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -7.775 tors. eta vs tors. theta energy: -6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -218.217975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.217975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.217975 (E_RNA) where: Base-Base interactions energy: -153.918 where: short stacking energy: -65.430 Base-Backbone interact. energy: -0.386 local terms energy: -63.913646 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -19.006 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: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -207.555580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.555580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.555580 (E_RNA) where: Base-Base interactions energy: -141.134 where: short stacking energy: -52.288 Base-Backbone interact. energy: -1.321 local terms energy: -65.100509 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -12.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -212.644497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.644497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.644497 (E_RNA) where: Base-Base interactions energy: -141.416 where: short stacking energy: -64.827 Base-Backbone interact. energy: -0.318 local terms energy: -70.910692 where: bonds (distance) C4'-P energy: -11.575 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -13.902 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -20.098 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: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -209.146699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.146699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.146699 (E_RNA) where: Base-Base interactions energy: -140.786 where: short stacking energy: -68.158 Base-Backbone interact. energy: -0.152 local terms energy: -68.208186 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -9.971 tors. eta vs tors. theta energy: -17.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -205.425121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.425121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.425121 (E_RNA) where: Base-Base interactions energy: -141.422 where: short stacking energy: -65.682 Base-Backbone interact. energy: -0.002 local terms energy: -64.000884 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -7.819 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -20.302 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: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -185.229307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.229307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.229307 (E_RNA) where: Base-Base interactions energy: -118.816 where: short stacking energy: -51.089 Base-Backbone interact. energy: -0.107 local terms energy: -66.306453 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -9.922 tors. eta vs tors. theta energy: -13.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -200.768002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.768002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.768002 (E_RNA) where: Base-Base interactions energy: -141.570 where: short stacking energy: -54.771 Base-Backbone interact. energy: -0.001 local terms energy: -59.196406 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -15.821 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: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -183.682984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.682984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.682984 (E_RNA) where: Base-Base interactions energy: -118.575 where: short stacking energy: -51.430 Base-Backbone interact. energy: -0.077 local terms energy: -65.031553 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -15.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -78.786519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.786519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.786519 (E_RNA) where: Base-Base interactions energy: -28.276 where: short stacking energy: -28.276 Base-Backbone interact. energy: -0.095 local terms energy: -50.415613 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -9.171 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -77.019951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.019951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.019951 (E_RNA) where: Base-Base interactions energy: -31.052 where: short stacking energy: -19.015 Base-Backbone interact. energy: -0.229 local terms energy: -45.739426 where: bonds (distance) C4'-P energy: -14.387 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: 0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -224.469289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.469289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.469289 (E_RNA) where: Base-Base interactions energy: -147.075 where: short stacking energy: -64.044 Base-Backbone interact. energy: -0.006 local terms energy: -77.388355 where: bonds (distance) C4'-P energy: -14.375 bonds (distance) P-C4' energy: -16.683 flat angles C4'-P-C4' energy: -15.884 flat angles P-C4'-P energy: -12.696 tors. eta vs tors. theta energy: -17.751 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: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -209.422612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.422612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.422612 (E_RNA) where: Base-Base interactions energy: -151.767 where: short stacking energy: -56.313 Base-Backbone interact. energy: -0.158 local terms energy: -57.497376 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -13.869 flat angles C4'-P-C4' energy: -11.119 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -10.864 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: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -210.887755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.887755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.887755 (E_RNA) where: Base-Base interactions energy: -147.880 where: short stacking energy: -65.118 Base-Backbone interact. energy: -0.001 local terms energy: -63.006101 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -11.274 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -17.253 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: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -207.050491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.050491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.050491 (E_RNA) where: Base-Base interactions energy: -136.898 where: short stacking energy: -60.044 Base-Backbone interact. energy: -0.101 local terms energy: -70.050598 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -17.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -205.289961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.289961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.289961 (E_RNA) where: Base-Base interactions energy: -134.516 where: short stacking energy: -54.802 Base-Backbone interact. energy: -0.000 local terms energy: -70.773517 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -16.140 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -17.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -184.671862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.671862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.671862 (E_RNA) where: Base-Base interactions energy: -127.556 where: short stacking energy: -52.263 Base-Backbone interact. energy: 0.372 local terms energy: -57.488570 where: bonds (distance) C4'-P energy: -9.447 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -15.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -194.581019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.581019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.581019 (E_RNA) where: Base-Base interactions energy: -134.012 where: short stacking energy: -51.888 Base-Backbone interact. energy: -0.214 local terms energy: -60.355193 where: bonds (distance) C4'-P energy: -12.715 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -10.240 tors. eta vs tors. theta energy: -9.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -178.812887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.812887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.812887 (E_RNA) where: Base-Base interactions energy: -119.932 where: short stacking energy: -55.106 Base-Backbone interact. energy: 0.215 local terms energy: -59.095654 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -13.383 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: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -79.472268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.472268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.472268 (E_RNA) where: Base-Base interactions energy: -34.792 where: short stacking energy: -27.779 Base-Backbone interact. energy: -0.196 local terms energy: -44.484344 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -14.157 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -6.824 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: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -74.458916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.458916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.458916 (E_RNA) where: Base-Base interactions energy: -26.689 where: short stacking energy: -25.513 Base-Backbone interact. energy: -0.105 local terms energy: -47.665028 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -1.689 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: 99 Temperature: 0.900000 Total energy: -221.279826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.279826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.279826 (E_RNA) where: Base-Base interactions energy: -149.802 where: short stacking energy: -68.489 Base-Backbone interact. energy: -0.009 local terms energy: -71.468574 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -21.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -214.516157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.516157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.516157 (E_RNA) where: Base-Base interactions energy: -145.877 where: short stacking energy: -65.480 Base-Backbone interact. energy: -0.099 local terms energy: -68.539771 where: bonds (distance) C4'-P energy: -10.792 bonds (distance) P-C4' energy: -13.387 flat angles C4'-P-C4' energy: -14.401 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -19.384 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: 99 Temperature: 1.000000 Total energy: -208.308408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.308408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.308408 (E_RNA) where: Base-Base interactions energy: -140.228 where: short stacking energy: -55.623 Base-Backbone interact. energy: -0.061 local terms energy: -68.020184 where: bonds (distance) C4'-P energy: -16.080 bonds (distance) P-C4' energy: -12.678 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -11.550 tors. eta vs tors. theta energy: -13.262 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: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -202.608126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.608126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.608126 (E_RNA) where: Base-Base interactions energy: -136.474 where: short stacking energy: -63.564 Base-Backbone interact. energy: -0.097 local terms energy: -66.037264 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -18.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -212.811645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.811645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.811645 (E_RNA) where: Base-Base interactions energy: -149.206 where: short stacking energy: -67.177 Base-Backbone interact. energy: -0.059 local terms energy: -63.546961 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -6.887 flat angles C4'-P-C4' energy: -16.364 flat angles P-C4'-P energy: -10.193 tors. eta vs tors. theta energy: -18.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -199.912438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.912438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.912438 (E_RNA) where: Base-Base interactions energy: -140.873 where: short stacking energy: -53.783 Base-Backbone interact. energy: -0.006 local terms energy: -59.033535 where: bonds (distance) C4'-P energy: -10.267 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -9.758 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -15.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -191.759374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.759374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.759374 (E_RNA) where: Base-Base interactions energy: -130.538 where: short stacking energy: -58.697 Base-Backbone interact. energy: -0.027 local terms energy: -61.194255 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -11.431 flat angles C4'-P-C4' energy: -16.241 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -16.968 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: 99 Temperature: 1.250000 Total energy: -175.636176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.636176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.636176 (E_RNA) where: Base-Base interactions energy: -117.335 where: short stacking energy: -47.541 Base-Backbone interact. energy: -0.058 local terms energy: -58.242482 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -16.444 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -14.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -75.961639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.961639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.961639 (E_RNA) where: Base-Base interactions energy: -26.786 where: short stacking energy: -26.786 Base-Backbone interact. energy: -0.001 local terms energy: -49.175279 where: bonds (distance) C4'-P energy: -13.969 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -7.285 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: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -77.769819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.769819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.769819 (E_RNA) where: Base-Base interactions energy: -28.969 where: short stacking energy: -28.969 Base-Backbone interact. energy: -0.007 local terms energy: -48.794231 where: bonds (distance) C4'-P energy: -12.085 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -13.694 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -4.013 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: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -223.659569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.659569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.659569 (E_RNA) where: Base-Base interactions energy: -151.829 where: short stacking energy: -65.041 Base-Backbone interact. energy: -0.658 local terms energy: -71.173434 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -12.243 tors. eta vs tors. theta energy: -16.553 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: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -218.631488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.631488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.631488 (E_RNA) where: Base-Base interactions energy: -148.413 where: short stacking energy: -67.006 Base-Backbone interact. energy: -0.612 local terms energy: -69.605604 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -14.591 flat angles P-C4'-P energy: -12.118 tors. eta vs tors. theta energy: -19.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -196.271480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.271480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.271480 (E_RNA) where: Base-Base interactions energy: -128.300 where: short stacking energy: -52.681 Base-Backbone interact. energy: -0.053 local terms energy: -67.918318 where: bonds (distance) C4'-P energy: -14.118 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -16.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -203.482650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.482650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.482650 (E_RNA) where: Base-Base interactions energy: -143.940 where: short stacking energy: -58.215 Base-Backbone interact. energy: -0.079 local terms energy: -59.462807 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -11.231 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -12.515 tors. eta vs tors. theta energy: -10.881 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: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -209.312065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.312065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.312065 (E_RNA) where: Base-Base interactions energy: -140.194 where: short stacking energy: -61.651 Base-Backbone interact. energy: -0.640 local terms energy: -68.477466 where: bonds (distance) C4'-P energy: -11.877 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -15.466 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -18.463 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: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -203.901438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.901438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.901438 (E_RNA) where: Base-Base interactions energy: -147.362 where: short stacking energy: -65.168 Base-Backbone interact. energy: -0.057 local terms energy: -56.481941 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -8.720 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -11.545 tors. eta vs tors. theta energy: -16.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -187.045021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.045021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.045021 (E_RNA) where: Base-Base interactions energy: -124.522 where: short stacking energy: -60.178 Base-Backbone interact. energy: -0.030 local terms energy: -62.493303 where: bonds (distance) C4'-P energy: -10.855 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -18.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -190.294991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.294991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.294991 (E_RNA) where: Base-Base interactions energy: -133.285 where: short stacking energy: -58.256 Base-Backbone interact. energy: -0.124 local terms energy: -56.885412 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -17.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -79.586815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.586815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.586815 (E_RNA) where: Base-Base interactions energy: -36.085 where: short stacking energy: -34.631 Base-Backbone interact. energy: -0.124 local terms energy: -43.378033 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -9.499 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -74.908260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.908260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.908260 (E_RNA) where: Base-Base interactions energy: -30.037 where: short stacking energy: -27.530 Base-Backbone interact. energy: -0.070 local terms energy: -44.801167 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -11.240 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -222.371362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.371362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.371362 (E_RNA) where: Base-Base interactions energy: -149.973 where: short stacking energy: -65.131 Base-Backbone interact. energy: -0.061 local terms energy: -72.337093 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -16.933 flat angles C4'-P-C4' energy: -12.923 flat angles P-C4'-P energy: -11.564 tors. eta vs tors. theta energy: -19.171 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: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -216.019290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.019290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.019290 (E_RNA) where: Base-Base interactions energy: -146.097 where: short stacking energy: -65.332 Base-Backbone interact. energy: -0.169 local terms energy: -69.752938 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -11.874 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -12.092 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: 3, replica: 9 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -206.463095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.463095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.463095 (E_RNA) where: Base-Base interactions energy: -139.526 where: short stacking energy: -65.064 Base-Backbone interact. energy: -0.009 local terms energy: -66.928941 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -10.187 flat angles C4'-P-C4' energy: -15.672 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -18.381 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: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -210.328194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.328194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.328194 (E_RNA) where: Base-Base interactions energy: -144.426 where: short stacking energy: -63.735 Base-Backbone interact. energy: -0.008 local terms energy: -65.894726 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -14.224 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -16.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -194.341787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.341787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.341787 (E_RNA) where: Base-Base interactions energy: -138.754 where: short stacking energy: -49.978 Base-Backbone interact. energy: -0.487 local terms energy: -55.101595 where: bonds (distance) C4'-P energy: -9.256 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -10.248 tors. eta vs tors. theta energy: -6.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -206.716204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.716204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.716204 (E_RNA) where: Base-Base interactions energy: -144.364 where: short stacking energy: -64.369 Base-Backbone interact. energy: -0.297 local terms energy: -62.055383 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -15.493 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: 1 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -180.668814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.668814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.668814 (E_RNA) where: Base-Base interactions energy: -121.998 where: short stacking energy: -52.147 Base-Backbone interact. energy: -0.158 local terms energy: -58.512915 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -11.461 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -14.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -188.710383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.710383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.710383 (E_RNA) where: Base-Base interactions energy: -127.448 where: short stacking energy: -58.468 Base-Backbone interact. energy: -0.075 local terms energy: -61.187300 where: bonds (distance) C4'-P energy: -10.493 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -16.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -77.257501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.257501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.257501 (E_RNA) where: Base-Base interactions energy: -26.242 where: short stacking energy: -22.725 Base-Backbone interact. energy: -0.010 local terms energy: -51.006174 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -3.464 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: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -82.006628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.006628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.006628 (E_RNA) where: Base-Base interactions energy: -35.127 where: short stacking energy: -35.127 Base-Backbone interact. energy: -0.011 local terms energy: -46.868818 where: bonds (distance) C4'-P energy: -13.062 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -219.354522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.354522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.354522 (E_RNA) where: Base-Base interactions energy: -147.052 where: short stacking energy: -69.698 Base-Backbone interact. energy: -1.057 local terms energy: -71.245822 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -11.325 tors. eta vs tors. theta energy: -20.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -216.144716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.144716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.144716 (E_RNA) where: Base-Base interactions energy: -144.353 where: short stacking energy: -64.619 Base-Backbone interact. energy: -0.099 local terms energy: -71.692542 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -17.255 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -17.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -217.874628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.874628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.874628 (E_RNA) where: Base-Base interactions energy: -147.221 where: short stacking energy: -62.813 Base-Backbone interact. energy: -0.122 local terms energy: -70.531416 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -18.395 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: 4, replica: 9 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -194.163793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.163793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.163793 (E_RNA) where: Base-Base interactions energy: -129.070 where: short stacking energy: -58.044 Base-Backbone interact. energy: -0.026 local terms energy: -65.067682 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -13.868 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -10.219 tors. eta vs tors. theta energy: -15.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -201.530186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.530186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.530186 (E_RNA) where: Base-Base interactions energy: -137.306 where: short stacking energy: -62.089 Base-Backbone interact. energy: -0.098 local terms energy: -64.125797 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -10.882 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -18.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -199.667909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.667909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.667909 (E_RNA) where: Base-Base interactions energy: -137.535 where: short stacking energy: -58.033 Base-Backbone interact. energy: -0.270 local terms energy: -61.862961 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -10.311 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -16.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -186.186018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.186018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.186018 (E_RNA) where: Base-Base interactions energy: -122.981 where: short stacking energy: -57.859 Base-Backbone interact. energy: -0.099 local terms energy: -63.105830 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -18.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -178.634845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.634845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.634845 (E_RNA) where: Base-Base interactions energy: -122.554 where: short stacking energy: -53.753 Base-Backbone interact. energy: -0.217 local terms energy: -55.864232 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -10.232 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -14.444 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: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -76.725137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.725137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.725137 (E_RNA) where: Base-Base interactions energy: -25.956 where: short stacking energy: -25.956 Base-Backbone interact. energy: -0.045 local terms energy: -50.724535 where: bonds (distance) C4'-P energy: -13.562 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -12.344 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -71.303227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.303227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.303227 (E_RNA) where: Base-Base interactions energy: -28.045 where: short stacking energy: -28.045 Base-Backbone interact. energy: -0.592 local terms energy: -42.665725 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -224.681699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.681699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.681699 (E_RNA) where: Base-Base interactions energy: -154.272 where: short stacking energy: -67.570 Base-Backbone interact. energy: -0.014 local terms energy: -70.396250 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -15.153 flat angles P-C4'-P energy: -9.661 tors. eta vs tors. theta energy: -18.510 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: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -217.280354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.280354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.280354 (E_RNA) where: Base-Base interactions energy: -146.057 where: short stacking energy: -67.203 Base-Backbone interact. energy: -0.002 local terms energy: -71.221289 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -17.775 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: 103 Temperature: 1.000000 Total energy: -215.858004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.858004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.858004 (E_RNA) where: Base-Base interactions energy: -149.143 where: short stacking energy: -66.052 Base-Backbone interact. energy: -0.072 local terms energy: -66.643192 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -15.058 flat angles P-C4'-P energy: -8.062 tors. eta vs tors. theta energy: -17.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -214.599393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.599393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.599393 (E_RNA) where: Base-Base interactions energy: -146.747 where: short stacking energy: -64.383 Base-Backbone interact. energy: -1.179 local terms energy: -66.673330 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -14.839 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -17.720 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: 103 Temperature: 1.100000 Total energy: -199.428064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.428064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.428064 (E_RNA) where: Base-Base interactions energy: -132.080 where: short stacking energy: -61.230 Base-Backbone interact. energy: -0.031 local terms energy: -67.316582 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -18.081 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: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -193.872340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.872340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.872340 (E_RNA) where: Base-Base interactions energy: -132.583 where: short stacking energy: -59.655 Base-Backbone interact. energy: -0.032 local terms energy: -61.258060 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -15.006 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -8.605 tors. eta vs tors. theta energy: -18.375 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: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -198.963851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.963851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.963851 (E_RNA) where: Base-Base interactions energy: -137.301 where: short stacking energy: -60.873 Base-Backbone interact. energy: -0.674 local terms energy: -60.989319 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -6.254 flat angles C4'-P-C4' energy: -11.712 flat angles P-C4'-P energy: -10.743 tors. eta vs tors. theta energy: -17.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -192.440294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.440294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.440294 (E_RNA) where: Base-Base interactions energy: -135.914 where: short stacking energy: -62.675 Base-Backbone interact. energy: -0.001 local terms energy: -56.525728 where: bonds (distance) C4'-P energy: -9.469 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -17.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -71.861711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.861711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.861711 (E_RNA) where: Base-Base interactions energy: -21.671 where: short stacking energy: -20.457 Base-Backbone interact. energy: -0.570 local terms energy: -49.620447 where: bonds (distance) C4'-P energy: -13.737 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -9.164 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -75.590468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.590468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.590468 (E_RNA) where: Base-Base interactions energy: -25.149 where: short stacking energy: -25.149 Base-Backbone interact. energy: -0.029 local terms energy: -50.412669 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -218.343746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.343746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.343746 (E_RNA) where: Base-Base interactions energy: -150.219 where: short stacking energy: -67.398 Base-Backbone interact. energy: -0.056 local terms energy: -68.068275 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -16.406 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -11.306 tors. eta vs tors. theta energy: -15.437 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: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -219.730195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.730195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.730195 (E_RNA) where: Base-Base interactions energy: -153.711 where: short stacking energy: -69.735 Base-Backbone interact. energy: -0.224 local terms energy: -65.795042 where: bonds (distance) C4'-P energy: -9.166 bonds (distance) P-C4' energy: -15.423 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -17.418 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: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -212.142531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.142531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.142531 (E_RNA) where: Base-Base interactions energy: -148.988 where: short stacking energy: -54.222 Base-Backbone interact. energy: -0.114 local terms energy: -63.040905 where: bonds (distance) C4'-P energy: -8.703 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -15.517 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: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -210.269022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.269022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.269022 (E_RNA) where: Base-Base interactions energy: -142.293 where: short stacking energy: -57.311 Base-Backbone interact. energy: -0.031 local terms energy: -67.945482 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -13.806 flat angles P-C4'-P energy: -9.974 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: 5, replica: 9 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -201.543131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.543131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.543131 (E_RNA) where: Base-Base interactions energy: -133.093 where: short stacking energy: -57.630 Base-Backbone interact. energy: -0.001 local terms energy: -68.448794 where: bonds (distance) C4'-P energy: -15.654 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -19.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -192.774436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.774436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.774436 (E_RNA) where: Base-Base interactions energy: -131.480 where: short stacking energy: -64.647 Base-Backbone interact. energy: -0.096 local terms energy: -61.198315 where: bonds (distance) C4'-P energy: -9.133 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -16.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -186.958843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.958843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.958843 (E_RNA) where: Base-Base interactions energy: -121.460 where: short stacking energy: -59.396 Base-Backbone interact. energy: -0.003 local terms energy: -65.495861 where: bonds (distance) C4'-P energy: -10.530 bonds (distance) P-C4' energy: -13.397 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -10.419 tors. eta vs tors. theta energy: -18.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -187.929098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.929098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.929098 (E_RNA) where: Base-Base interactions energy: -136.043 where: short stacking energy: -53.443 Base-Backbone interact. energy: -0.005 local terms energy: -51.880383 where: bonds (distance) C4'-P energy: -6.391 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -15.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -80.625467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.625467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.625467 (E_RNA) where: Base-Base interactions energy: -37.172 where: short stacking energy: -37.172 Base-Backbone interact. energy: -0.147 local terms energy: -43.307099 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -71.635376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.635376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.635376 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.068 local terms energy: -46.834607 where: bonds (distance) C4'-P energy: -7.158 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -10.192 flat angles P-C4'-P energy: -11.763 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -215.867400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.867400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.867400 (E_RNA) where: Base-Base interactions energy: -150.042 where: short stacking energy: -66.174 Base-Backbone interact. energy: -0.172 local terms energy: -65.653319 where: bonds (distance) C4'-P energy: -14.631 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -12.650 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: 105 Temperature: 0.950000 Total energy: -216.848082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.848082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.848082 (E_RNA) where: Base-Base interactions energy: -144.524 where: short stacking energy: -60.520 Base-Backbone interact. energy: -0.033 local terms energy: -72.290736 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -16.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -214.198749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.198749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.198749 (E_RNA) where: Base-Base interactions energy: -146.027 where: short stacking energy: -58.696 Base-Backbone interact. energy: -0.005 local terms energy: -68.166572 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -11.979 tors. eta vs tors. theta energy: -19.400 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: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -207.317180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.317180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.317180 (E_RNA) where: Base-Base interactions energy: -139.944 where: short stacking energy: -59.930 Base-Backbone interact. energy: -0.020 local terms energy: -67.353104 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -12.909 flat angles C4'-P-C4' energy: -14.872 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -184.795712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.795712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.795712 (E_RNA) where: Base-Base interactions energy: -127.686 where: short stacking energy: -54.022 Base-Backbone interact. energy: -0.136 local terms energy: -56.973551 where: bonds (distance) C4'-P energy: -7.459 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -12.870 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: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -185.631263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.631263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.631263 (E_RNA) where: Base-Base interactions energy: -126.050 where: short stacking energy: -58.105 Base-Backbone interact. energy: 1.210 local terms energy: -60.791570 where: bonds (distance) C4'-P energy: -9.328 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -15.172 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -15.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -198.541003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.541003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.541003 (E_RNA) where: Base-Base interactions energy: -136.498 where: short stacking energy: -64.618 Base-Backbone interact. energy: -0.065 local terms energy: -61.978409 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -14.529 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -17.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -162.414770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.414770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.414770 (E_RNA) where: Base-Base interactions energy: -103.783 where: short stacking energy: -44.335 Base-Backbone interact. energy: 0.385 local terms energy: -59.016923 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -12.852 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -13.560 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: 8 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -80.225461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.225461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.225461 (E_RNA) where: Base-Base interactions energy: -37.490 where: short stacking energy: -37.490 Base-Backbone interact. energy: -0.130 local terms energy: -42.605944 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -4.475 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: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -78.226063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.226063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.226063 (E_RNA) where: Base-Base interactions energy: -32.762 where: short stacking energy: -27.958 Base-Backbone interact. energy: -0.085 local terms energy: -45.379682 where: bonds (distance) C4'-P energy: -11.216 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -224.123515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.123515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.123515 (E_RNA) where: Base-Base interactions energy: -152.563 where: short stacking energy: -67.046 Base-Backbone interact. energy: -0.616 local terms energy: -70.945122 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -10.783 tors. eta vs tors. theta energy: -20.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -217.998435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.998435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.998435 (E_RNA) where: Base-Base interactions energy: -149.860 where: short stacking energy: -65.445 Base-Backbone interact. energy: -0.002 local terms energy: -68.136386 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -14.810 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -213.132157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.132157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.132157 (E_RNA) where: Base-Base interactions energy: -141.881 where: short stacking energy: -62.150 Base-Backbone interact. energy: -0.002 local terms energy: -71.249006 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -11.121 tors. eta vs tors. theta energy: -20.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -217.159071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.159071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.159071 (E_RNA) where: Base-Base interactions energy: -148.114 where: short stacking energy: -67.595 Base-Backbone interact. energy: -0.789 local terms energy: -68.255633 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -15.825 flat angles C4'-P-C4' energy: -12.232 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -19.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -184.524988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.524988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.524988 (E_RNA) where: Base-Base interactions energy: -123.205 where: short stacking energy: -55.261 Base-Backbone interact. energy: -0.100 local terms energy: -61.220585 where: bonds (distance) C4'-P energy: -10.747 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -15.597 flat angles P-C4'-P energy: -9.453 tors. eta vs tors. theta energy: -13.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -206.809621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.809621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.809621 (E_RNA) where: Base-Base interactions energy: -135.366 where: short stacking energy: -62.512 Base-Backbone interact. energy: -0.159 local terms energy: -71.285105 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -13.796 tors. eta vs tors. theta energy: -16.347 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: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -186.335613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.335613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.335613 (E_RNA) where: Base-Base interactions energy: -125.365 where: short stacking energy: -56.997 Base-Backbone interact. energy: -0.072 local terms energy: -60.899189 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -159.182563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.182563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.182563 (E_RNA) where: Base-Base interactions energy: -103.176 where: short stacking energy: -40.726 Base-Backbone interact. energy: -0.132 local terms energy: -55.875143 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -74.619764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.619764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.619764 (E_RNA) where: Base-Base interactions energy: -28.968 where: short stacking energy: -27.604 Base-Backbone interact. energy: -0.112 local terms energy: -45.539584 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -11.292 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -1.270 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: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -74.639987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.639987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.639987 (E_RNA) where: Base-Base interactions energy: -30.468 where: short stacking energy: -30.468 Base-Backbone interact. energy: -0.591 local terms energy: -43.580725 where: bonds (distance) C4'-P energy: -8.238 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -220.716372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.716372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.716372 (E_RNA) where: Base-Base interactions energy: -150.260 where: short stacking energy: -62.834 Base-Backbone interact. energy: -0.063 local terms energy: -70.393079 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -12.136 flat angles C4'-P-C4' energy: -15.949 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -20.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -219.798821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.798821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.798821 (E_RNA) where: Base-Base interactions energy: -144.318 where: short stacking energy: -60.368 Base-Backbone interact. energy: -0.000 local terms energy: -75.480875 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -11.512 tors. eta vs tors. theta energy: -19.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -211.780377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.780377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.780377 (E_RNA) where: Base-Base interactions energy: -139.908 where: short stacking energy: -57.740 Base-Backbone interact. energy: -0.002 local terms energy: -71.870224 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -18.143 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: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -198.938071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.938071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.938071 (E_RNA) where: Base-Base interactions energy: -133.817 where: short stacking energy: -59.686 Base-Backbone interact. energy: -0.003 local terms energy: -65.117782 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -12.558 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -19.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -208.376024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.376024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.376024 (E_RNA) where: Base-Base interactions energy: -144.697 where: short stacking energy: -61.291 Base-Backbone interact. energy: -0.080 local terms energy: -63.598771 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -14.720 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -17.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -189.377948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.377948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.377948 (E_RNA) where: Base-Base interactions energy: -129.181 where: short stacking energy: -59.357 Base-Backbone interact. energy: 0.575 local terms energy: -60.772005 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -10.320 tors. eta vs tors. theta energy: -15.853 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: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -192.670623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.670623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.670623 (E_RNA) where: Base-Base interactions energy: -121.505 where: short stacking energy: -58.332 Base-Backbone interact. energy: -0.005 local terms energy: -71.160795 where: bonds (distance) C4'-P energy: -14.437 bonds (distance) P-C4' energy: -17.373 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -19.283 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: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -203.864486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.864486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.864486 (E_RNA) where: Base-Base interactions energy: -140.271 where: short stacking energy: -59.771 Base-Backbone interact. energy: -0.323 local terms energy: -63.270675 where: bonds (distance) C4'-P energy: -16.771 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -8.494 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -18.957 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: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -85.826128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.826128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.826128 (E_RNA) where: Base-Base interactions energy: -37.587 where: short stacking energy: -37.587 Base-Backbone interact. energy: -0.001 local terms energy: -48.238710 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -10.709 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -112.924165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.924165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.924165 (E_RNA) where: Base-Base interactions energy: -70.501 where: short stacking energy: -39.274 Base-Backbone interact. energy: -0.126 local terms energy: -42.296811 where: bonds (distance) C4'-P energy: -5.924 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -11.189 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -219.178967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.178967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.178967 (E_RNA) where: Base-Base interactions energy: -147.794 where: short stacking energy: -67.724 Base-Backbone interact. energy: -0.071 local terms energy: -71.314485 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -14.210 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -11.098 tors. eta vs tors. theta energy: -21.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -213.517324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.517324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.517324 (E_RNA) where: Base-Base interactions energy: -139.607 where: short stacking energy: -61.533 Base-Backbone interact. energy: -0.684 local terms energy: -73.225828 where: bonds (distance) C4'-P energy: -13.608 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -11.800 tors. eta vs tors. theta energy: -16.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -221.645363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.645363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.645363 (E_RNA) where: Base-Base interactions energy: -150.727 where: short stacking energy: -62.813 Base-Backbone interact. energy: -1.099 local terms energy: -69.818685 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -13.237 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -17.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -201.508134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.508134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.508134 (E_RNA) where: Base-Base interactions energy: -130.339 where: short stacking energy: -59.738 Base-Backbone interact. energy: -0.097 local terms energy: -71.072022 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -15.966 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -17.916 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: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -195.451638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.451638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.451638 (E_RNA) where: Base-Base interactions energy: -130.924 where: short stacking energy: -60.628 Base-Backbone interact. energy: -0.035 local terms energy: -64.492902 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -11.850 flat angles C4'-P-C4' energy: -10.151 flat angles P-C4'-P energy: -12.696 tors. eta vs tors. theta energy: -18.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -210.926853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.926853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.926853 (E_RNA) where: Base-Base interactions energy: -143.900 where: short stacking energy: -64.423 Base-Backbone interact. energy: -0.584 local terms energy: -66.443329 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -10.420 tors. eta vs tors. theta energy: -16.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -195.383547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.383547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.383547 (E_RNA) where: Base-Base interactions energy: -138.204 where: short stacking energy: -56.561 Base-Backbone interact. energy: -0.387 local terms energy: -56.792707 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -6.744 flat angles C4'-P-C4' energy: -14.180 flat angles P-C4'-P energy: -9.531 tors. eta vs tors. theta energy: -15.909 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: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -196.994299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.994299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.994299 (E_RNA) where: Base-Base interactions energy: -130.541 where: short stacking energy: -58.754 Base-Backbone interact. energy: -0.005 local terms energy: -66.447681 where: bonds (distance) C4'-P energy: -9.448 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -17.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -81.825267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.825267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.825267 (E_RNA) where: Base-Base interactions energy: -37.096 where: short stacking energy: -26.689 Base-Backbone interact. energy: -0.236 local terms energy: -44.493477 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -1.942 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: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -82.083607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.083607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.083607 (E_RNA) where: Base-Base interactions energy: -36.956 where: short stacking energy: -36.956 Base-Backbone interact. energy: -0.110 local terms energy: -45.017220 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -9.632 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -224.880892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.880892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.880892 (E_RNA) where: Base-Base interactions energy: -155.010 where: short stacking energy: -69.037 Base-Backbone interact. energy: -0.291 local terms energy: -69.579893 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -14.334 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -21.238 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: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -218.043317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.043317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.043317 (E_RNA) where: Base-Base interactions energy: -149.949 where: short stacking energy: -66.472 Base-Backbone interact. energy: -0.231 local terms energy: -67.862795 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -18.683 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: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -219.495877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.495877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.495877 (E_RNA) where: Base-Base interactions energy: -142.529 where: short stacking energy: -65.504 Base-Backbone interact. energy: -0.576 local terms energy: -76.390607 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -13.552 flat angles P-C4'-P energy: -12.874 tors. eta vs tors. theta energy: -19.100 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: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -198.158029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.158029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.158029 (E_RNA) where: Base-Base interactions energy: -129.591 where: short stacking energy: -57.585 Base-Backbone interact. energy: -0.935 local terms energy: -67.632515 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -15.281 flat angles C4'-P-C4' energy: -15.130 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -15.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -200.577805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.577805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.577805 (E_RNA) where: Base-Base interactions energy: -130.758 where: short stacking energy: -58.180 Base-Backbone interact. energy: -0.126 local terms energy: -69.693688 where: bonds (distance) C4'-P energy: -11.228 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -17.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -208.382333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.382333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.382333 (E_RNA) where: Base-Base interactions energy: -142.413 where: short stacking energy: -64.057 Base-Backbone interact. energy: -0.499 local terms energy: -65.469995 where: bonds (distance) C4'-P energy: -10.440 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -16.767 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -15.147 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: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -196.777188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.777188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.777188 (E_RNA) where: Base-Base interactions energy: -134.522 where: short stacking energy: -55.822 Base-Backbone interact. energy: -0.036 local terms energy: -62.218692 where: bonds (distance) C4'-P energy: -11.770 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -14.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -185.181284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.181284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.181284 (E_RNA) where: Base-Base interactions energy: -126.729 where: short stacking energy: -56.330 Base-Backbone interact. energy: -0.681 local terms energy: -57.771586 where: bonds (distance) C4'-P energy: -7.805 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -11.196 flat angles P-C4'-P energy: -11.079 tors. eta vs tors. theta energy: -16.065 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: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -87.520475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.520475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.520475 (E_RNA) where: Base-Base interactions energy: -31.972 where: short stacking energy: -31.972 Base-Backbone interact. energy: 0.343 local terms energy: -55.891704 where: bonds (distance) C4'-P energy: -9.632 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -73.354614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.354614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.354614 (E_RNA) where: Base-Base interactions energy: -31.285 where: short stacking energy: -31.285 Base-Backbone interact. energy: -0.134 local terms energy: -41.935604 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -11.876 flat angles P-C4'-P energy: -1.648 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -226.625333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.625333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.625333 (E_RNA) where: Base-Base interactions energy: -155.998 where: short stacking energy: -65.809 Base-Backbone interact. energy: -0.450 local terms energy: -70.178080 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -16.733 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -18.547 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: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -217.282022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.282022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.282022 (E_RNA) where: Base-Base interactions energy: -145.476 where: short stacking energy: -66.511 Base-Backbone interact. energy: -0.344 local terms energy: -71.461708 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -19.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -204.476361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.476361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.476361 (E_RNA) where: Base-Base interactions energy: -135.365 where: short stacking energy: -66.320 Base-Backbone interact. energy: -0.211 local terms energy: -68.900112 where: bonds (distance) C4'-P energy: -16.316 bonds (distance) P-C4' energy: -11.587 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -20.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -214.657243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.657243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.657243 (E_RNA) where: Base-Base interactions energy: -144.421 where: short stacking energy: -63.079 Base-Backbone interact. energy: -0.156 local terms energy: -70.079609 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -18.785 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: 5, replica: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -183.984810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.984810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.984810 (E_RNA) where: Base-Base interactions energy: -123.083 where: short stacking energy: -61.206 Base-Backbone interact. energy: -0.104 local terms energy: -60.797670 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -16.875 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: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -206.192284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.192284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.192284 (E_RNA) where: Base-Base interactions energy: -136.746 where: short stacking energy: -57.811 Base-Backbone interact. energy: -0.000 local terms energy: -69.445751 where: bonds (distance) C4'-P energy: -14.801 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -12.117 flat angles P-C4'-P energy: -9.967 tors. eta vs tors. theta energy: -17.985 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: 110 Temperature: 1.200000 Total energy: -187.094387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.094387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.094387 (E_RNA) where: Base-Base interactions energy: -128.807 where: short stacking energy: -56.837 Base-Backbone interact. energy: -0.043 local terms energy: -58.244406 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -10.910 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -19.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -194.089534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.089534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.089534 (E_RNA) where: Base-Base interactions energy: -137.273 where: short stacking energy: -59.175 Base-Backbone interact. energy: -0.105 local terms energy: -56.711966 where: bonds (distance) C4'-P energy: -11.266 bonds (distance) P-C4' energy: -10.423 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -16.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -70.219251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.219251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.219251 (E_RNA) where: Base-Base interactions energy: -25.311 where: short stacking energy: -25.311 Base-Backbone interact. energy: -0.341 local terms energy: -44.567127 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -14.274 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -72.152265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.152265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.152265 (E_RNA) where: Base-Base interactions energy: -21.948 where: short stacking energy: -22.422 Base-Backbone interact. energy: -0.134 local terms energy: -50.070465 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -13.675 flat angles C4'-P-C4' energy: -10.682 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -226.310772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.310772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.310772 (E_RNA) where: Base-Base interactions energy: -151.364 where: short stacking energy: -65.702 Base-Backbone interact. energy: -0.288 local terms energy: -74.658167 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -14.561 flat angles P-C4'-P energy: -12.663 tors. eta vs tors. theta energy: -19.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -209.553563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.553563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.553563 (E_RNA) where: Base-Base interactions energy: -146.060 where: short stacking energy: -67.426 Base-Backbone interact. energy: -0.000 local terms energy: -63.493262 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -10.864 flat angles P-C4'-P energy: -10.900 tors. eta vs tors. theta energy: -20.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -222.147422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.147422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.147422 (E_RNA) where: Base-Base interactions energy: -148.857 where: short stacking energy: -67.860 Base-Backbone interact. energy: -0.002 local terms energy: -73.288988 where: bonds (distance) C4'-P energy: -14.217 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -13.992 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -18.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -201.423500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.423500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.423500 (E_RNA) where: Base-Base interactions energy: -135.423 where: short stacking energy: -62.960 Base-Backbone interact. energy: -0.096 local terms energy: -65.904680 where: bonds (distance) C4'-P energy: -12.226 bonds (distance) P-C4' energy: -12.799 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -10.162 tors. eta vs tors. theta energy: -17.196 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: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -202.982600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.982600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.982600 (E_RNA) where: Base-Base interactions energy: -141.405 where: short stacking energy: -64.367 Base-Backbone interact. energy: 1.344 local terms energy: -62.921047 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -11.600 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -18.503 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: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -205.977757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.977757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.977757 (E_RNA) where: Base-Base interactions energy: -132.690 where: short stacking energy: -63.819 Base-Backbone interact. energy: -0.001 local terms energy: -73.286124 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -20.708 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: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -193.689434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.689434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.689434 (E_RNA) where: Base-Base interactions energy: -131.631 where: short stacking energy: -59.767 Base-Backbone interact. energy: -0.700 local terms energy: -61.358307 where: bonds (distance) C4'-P energy: -11.489 bonds (distance) P-C4' energy: -12.221 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -16.407 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: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -175.091679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.091679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.091679 (E_RNA) where: Base-Base interactions energy: -123.079 where: short stacking energy: -50.702 Base-Backbone interact. energy: 0.226 local terms energy: -52.239534 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -8.049 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -10.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -82.525611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.525611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.525611 (E_RNA) where: Base-Base interactions energy: -35.579 where: short stacking energy: -35.579 Base-Backbone interact. energy: -0.053 local terms energy: -46.894235 where: bonds (distance) C4'-P energy: -9.157 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -10.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -74.149942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.149942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.149942 (E_RNA) where: Base-Base interactions energy: -30.840 where: short stacking energy: -24.035 Base-Backbone interact. energy: -0.638 local terms energy: -42.672544 where: bonds (distance) C4'-P energy: -11.617 bonds (distance) P-C4' energy: -11.157 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -1.263 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -222.851383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.851383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.851383 (E_RNA) where: Base-Base interactions energy: -149.928 where: short stacking energy: -68.993 Base-Backbone interact. energy: -0.281 local terms energy: -72.642262 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -18.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -209.052534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.052534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.052534 (E_RNA) where: Base-Base interactions energy: -143.616 where: short stacking energy: -64.577 Base-Backbone interact. energy: -0.121 local terms energy: -65.315782 where: bonds (distance) C4'-P energy: -10.485 bonds (distance) P-C4' energy: -14.918 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -18.629 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: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -213.663441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.663441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.663441 (E_RNA) where: Base-Base interactions energy: -150.646 where: short stacking energy: -64.699 Base-Backbone interact. energy: -0.376 local terms energy: -62.641208 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -14.718 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -17.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -195.677838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.677838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.677838 (E_RNA) where: Base-Base interactions energy: -126.555 where: short stacking energy: -57.169 Base-Backbone interact. energy: -0.008 local terms energy: -69.114166 where: bonds (distance) C4'-P energy: -15.086 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.616 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: -16.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -195.500886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.500886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.500886 (E_RNA) where: Base-Base interactions energy: -133.848 where: short stacking energy: -57.906 Base-Backbone interact. energy: -0.679 local terms energy: -60.974242 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -12.024 flat angles C4'-P-C4' energy: -13.283 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -200.696756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.696756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.696756 (E_RNA) where: Base-Base interactions energy: -142.580 where: short stacking energy: -57.700 Base-Backbone interact. energy: -0.041 local terms energy: -58.076315 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -7.615 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -17.429 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: 7, replica: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -184.453673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.453673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.453673 (E_RNA) where: Base-Base interactions energy: -131.842 where: short stacking energy: -46.324 Base-Backbone interact. energy: 0.199 local terms energy: -52.811004 where: bonds (distance) C4'-P energy: -9.344 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -12.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -176.580285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.580285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.580285 (E_RNA) where: Base-Base interactions energy: -120.937 where: short stacking energy: -50.162 Base-Backbone interact. energy: -0.186 local terms energy: -55.457421 where: bonds (distance) C4'-P energy: -10.603 bonds (distance) P-C4' energy: -10.894 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -12.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -77.791012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.791012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.791012 (E_RNA) where: Base-Base interactions energy: -29.609 where: short stacking energy: -27.902 Base-Backbone interact. energy: -0.185 local terms energy: -47.997457 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -9.248 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -4.557 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: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -66.301089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.301089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.301089 (E_RNA) where: Base-Base interactions energy: -27.320 where: short stacking energy: -27.320 Base-Backbone interact. energy: -0.115 local terms energy: -38.866114 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -12.031 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -222.059269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.059269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.059269 (E_RNA) where: Base-Base interactions energy: -147.660 where: short stacking energy: -61.009 Base-Backbone interact. energy: -0.322 local terms energy: -74.076972 where: bonds (distance) C4'-P energy: -12.916 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -18.369 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: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -220.959826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.959826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.959826 (E_RNA) where: Base-Base interactions energy: -150.739 where: short stacking energy: -70.949 Base-Backbone interact. energy: -1.296 local terms energy: -68.924514 where: bonds (distance) C4'-P energy: -10.283 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -20.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -208.084070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.084070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.084070 (E_RNA) where: Base-Base interactions energy: -141.994 where: short stacking energy: -66.108 Base-Backbone interact. energy: -0.007 local terms energy: -66.083463 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -10.814 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -18.991 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: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -208.198062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.198062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.198062 (E_RNA) where: Base-Base interactions energy: -148.945 where: short stacking energy: -56.648 Base-Backbone interact. energy: -0.161 local terms energy: -59.091739 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -13.158 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -16.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -186.456683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.456683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.456683 (E_RNA) where: Base-Base interactions energy: -119.569 where: short stacking energy: -57.192 Base-Backbone interact. energy: -0.003 local terms energy: -66.884496 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -15.444 flat angles P-C4'-P energy: -11.517 tors. eta vs tors. theta energy: -16.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -201.467335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.467335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.467335 (E_RNA) where: Base-Base interactions energy: -140.265 where: short stacking energy: -59.428 Base-Backbone interact. energy: -0.078 local terms energy: -61.124146 where: bonds (distance) C4'-P energy: -11.162 bonds (distance) P-C4' energy: -11.111 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -15.052 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: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -204.111810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.111810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.111810 (E_RNA) where: Base-Base interactions energy: -145.262 where: short stacking energy: -62.642 Base-Backbone interact. energy: -0.241 local terms energy: -58.608853 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -10.830 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -18.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -174.287027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.287027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.287027 (E_RNA) where: Base-Base interactions energy: -115.238 where: short stacking energy: -46.935 Base-Backbone interact. energy: -0.069 local terms energy: -58.980387 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -13.815 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: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -70.917753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.917753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.917753 (E_RNA) where: Base-Base interactions energy: -19.217 where: short stacking energy: -17.530 Base-Backbone interact. energy: -1.034 local terms energy: -50.666996 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -16.566 flat angles C4'-P-C4' energy: -10.428 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -65.430438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.430438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.430438 (E_RNA) where: Base-Base interactions energy: -26.510 where: short stacking energy: -16.793 Base-Backbone interact. energy: -0.331 local terms energy: -38.588884 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -9.311 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: 1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -224.974054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.974054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.974054 (E_RNA) where: Base-Base interactions energy: -153.872 where: short stacking energy: -74.986 Base-Backbone interact. energy: -0.055 local terms energy: -71.046590 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -13.382 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -20.002 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: 6 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -217.594402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.594402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.594402 (E_RNA) where: Base-Base interactions energy: -146.219 where: short stacking energy: -65.820 Base-Backbone interact. energy: 0.168 local terms energy: -71.544143 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -17.235 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -18.336 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: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -213.827246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.827246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.827246 (E_RNA) where: Base-Base interactions energy: -147.096 where: short stacking energy: -62.164 Base-Backbone interact. energy: -0.001 local terms energy: -66.730943 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -9.088 flat angles P-C4'-P energy: -13.126 tors. eta vs tors. theta energy: -18.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -196.014717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.014717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.014717 (E_RNA) where: Base-Base interactions energy: -132.141 where: short stacking energy: -60.269 Base-Backbone interact. energy: -0.245 local terms energy: -63.629243 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -14.790 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -15.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -201.963334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.963334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.963334 (E_RNA) where: Base-Base interactions energy: -138.645 where: short stacking energy: -56.400 Base-Backbone interact. energy: -0.178 local terms energy: -63.140731 where: bonds (distance) C4'-P energy: -13.066 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -15.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -195.641304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.641304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.641304 (E_RNA) where: Base-Base interactions energy: -130.845 where: short stacking energy: -63.076 Base-Backbone interact. energy: -0.102 local terms energy: -64.694611 where: bonds (distance) C4'-P energy: -7.992 bonds (distance) P-C4' energy: -16.114 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -18.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -195.841931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.841931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.841931 (E_RNA) where: Base-Base interactions energy: -141.088 where: short stacking energy: -62.636 Base-Backbone interact. energy: -0.103 local terms energy: -54.650770 where: bonds (distance) C4'-P energy: -15.294 bonds (distance) P-C4' energy: -9.095 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -8.107 tors. eta vs tors. theta energy: -10.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -184.275801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.275801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.275801 (E_RNA) where: Base-Base interactions energy: -129.177 where: short stacking energy: -58.434 Base-Backbone interact. energy: -0.074 local terms energy: -55.024543 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -15.818 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: 114 Temperature: 1.300000 Total energy: -79.772960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.772960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.772960 (E_RNA) where: Base-Base interactions energy: -34.679 where: short stacking energy: -33.129 Base-Backbone interact. energy: -1.086 local terms energy: -44.007928 where: bonds (distance) C4'-P energy: -10.706 bonds (distance) P-C4' energy: -13.259 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: 0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -68.435458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.435458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.435458 (E_RNA) where: Base-Base interactions energy: -27.421 where: short stacking energy: -27.421 Base-Backbone interact. energy: -0.320 local terms energy: -40.694504 where: bonds (distance) C4'-P energy: -9.830 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: 0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -223.109414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.109414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.109414 (E_RNA) where: Base-Base interactions energy: -147.681 where: short stacking energy: -66.712 Base-Backbone interact. energy: -0.097 local terms energy: -75.331667 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -10.163 tors. eta vs tors. theta energy: -19.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -211.565527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.565527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.565527 (E_RNA) where: Base-Base interactions energy: -143.001 where: short stacking energy: -56.214 Base-Backbone interact. energy: -0.005 local terms energy: -68.558723 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -15.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -219.414543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.414543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.414543 (E_RNA) where: Base-Base interactions energy: -150.458 where: short stacking energy: -69.791 Base-Backbone interact. energy: -0.015 local terms energy: -68.941253 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -21.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -216.231598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.231598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.231598 (E_RNA) where: Base-Base interactions energy: -144.373 where: short stacking energy: -65.921 Base-Backbone interact. energy: -0.242 local terms energy: -71.616388 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -14.828 flat angles C4'-P-C4' energy: -14.564 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -20.527 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: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -202.767982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.767982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.767982 (E_RNA) where: Base-Base interactions energy: -131.613 where: short stacking energy: -60.851 Base-Backbone interact. energy: -0.575 local terms energy: -70.579514 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -14.435 flat angles P-C4'-P energy: -10.444 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -192.279019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.279019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.279019 (E_RNA) where: Base-Base interactions energy: -140.242 where: short stacking energy: -51.607 Base-Backbone interact. energy: -0.312 local terms energy: -51.725579 where: bonds (distance) C4'-P energy: -11.625 bonds (distance) P-C4' energy: -11.996 flat angles C4'-P-C4' energy: -9.658 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -8.308 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: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -184.327520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.327520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.327520 (E_RNA) where: Base-Base interactions energy: -121.337 where: short stacking energy: -50.945 Base-Backbone interact. energy: 0.762 local terms energy: -63.751872 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -15.883 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -12.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -188.718855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.718855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.718855 (E_RNA) where: Base-Base interactions energy: -130.207 where: short stacking energy: -66.670 Base-Backbone interact. energy: -0.100 local terms energy: -58.412291 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -10.509 flat angles C4'-P-C4' energy: -12.465 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -16.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -114.610125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.610125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.610125 (E_RNA) where: Base-Base interactions energy: -60.315 where: short stacking energy: -32.896 Base-Backbone interact. energy: -0.204 local terms energy: -54.091704 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -6.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -81.566885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.566885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.566885 (E_RNA) where: Base-Base interactions energy: -31.751 where: short stacking energy: -24.343 Base-Backbone interact. energy: 0.268 local terms energy: -50.083563 where: bonds (distance) C4'-P energy: -6.277 bonds (distance) P-C4' energy: -11.300 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -11.695 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -214.724529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.724529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.724529 (E_RNA) where: Base-Base interactions energy: -142.958 where: short stacking energy: -59.737 Base-Backbone interact. energy: -0.607 local terms energy: -71.159393 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -10.873 tors. eta vs tors. theta energy: -14.666 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: 2, replica: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -214.906305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.906305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.906305 (E_RNA) where: Base-Base interactions energy: -145.752 where: short stacking energy: -64.210 Base-Backbone interact. energy: -0.048 local terms energy: -69.106139 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -18.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -215.153734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.153734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.153734 (E_RNA) where: Base-Base interactions energy: -146.749 where: short stacking energy: -66.905 Base-Backbone interact. energy: -0.148 local terms energy: -68.256425 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -17.797 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: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -212.695638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.695638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.695638 (E_RNA) where: Base-Base interactions energy: -145.852 where: short stacking energy: -63.395 Base-Backbone interact. energy: -0.007 local terms energy: -66.836659 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -14.685 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -11.353 tors. eta vs tors. theta energy: -19.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -196.405423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.405423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.405423 (E_RNA) where: Base-Base interactions energy: -135.187 where: short stacking energy: -55.094 Base-Backbone interact. energy: -0.240 local terms energy: -60.978719 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -12.516 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: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -190.065324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.065324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.065324 (E_RNA) where: Base-Base interactions energy: -130.254 where: short stacking energy: -59.653 Base-Backbone interact. energy: -0.143 local terms energy: -59.668280 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -12.752 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: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -195.967036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.967036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.967036 (E_RNA) where: Base-Base interactions energy: -136.949 where: short stacking energy: -61.332 Base-Backbone interact. energy: -0.337 local terms energy: -58.681881 where: bonds (distance) C4'-P energy: -8.550 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -14.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -152.889642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.889642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.889642 (E_RNA) where: Base-Base interactions energy: -97.121 where: short stacking energy: -50.939 Base-Backbone interact. energy: 0.410 local terms energy: -56.178268 where: bonds (distance) C4'-P energy: -9.982 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.200 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -13.697 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: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -103.242432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.242432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.242432 (E_RNA) where: Base-Base interactions energy: -58.106 where: short stacking energy: -30.848 Base-Backbone interact. energy: 1.387 local terms energy: -46.523278 where: bonds (distance) C4'-P energy: -12.660 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -11.081 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -86.312178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.312178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.312178 (E_RNA) where: Base-Base interactions energy: -44.998 where: short stacking energy: -31.830 Base-Backbone interact. energy: 1.563 local terms energy: -42.876637 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -6.031 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -220.671195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.671195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.671195 (E_RNA) where: Base-Base interactions energy: -152.683 where: short stacking energy: -66.546 Base-Backbone interact. energy: -0.003 local terms energy: -67.985500 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -14.228 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -11.170 tors. eta vs tors. theta energy: -16.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -218.607221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.607221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.607221 (E_RNA) where: Base-Base interactions energy: -149.386 where: short stacking energy: -67.251 Base-Backbone interact. energy: -1.428 local terms energy: -67.794102 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -11.957 flat angles P-C4'-P energy: -10.311 tors. eta vs tors. theta energy: -17.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -217.166567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.166567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.166567 (E_RNA) where: Base-Base interactions energy: -151.464 where: short stacking energy: -65.316 Base-Backbone interact. energy: -0.083 local terms energy: -65.619158 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -15.106 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -19.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -211.981580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.981580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.981580 (E_RNA) where: Base-Base interactions energy: -147.481 where: short stacking energy: -58.763 Base-Backbone interact. energy: -0.110 local terms energy: -64.389711 where: bonds (distance) C4'-P energy: -8.429 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -15.030 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -14.776 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: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -202.588453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.588453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.588453 (E_RNA) where: Base-Base interactions energy: -140.715 where: short stacking energy: -61.974 Base-Backbone interact. energy: -0.048 local terms energy: -61.825490 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -13.259 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -15.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -197.191741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.191741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.191741 (E_RNA) where: Base-Base interactions energy: -134.597 where: short stacking energy: -62.254 Base-Backbone interact. energy: 1.197 local terms energy: -63.791975 where: bonds (distance) C4'-P energy: -10.172 bonds (distance) P-C4' energy: -10.395 flat angles C4'-P-C4' energy: -15.044 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -17.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -183.182646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.182646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.182646 (E_RNA) where: Base-Base interactions energy: -123.936 where: short stacking energy: -50.934 Base-Backbone interact. energy: 1.901 local terms energy: -61.148283 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -10.767 flat angles C4'-P-C4' energy: -14.797 flat angles P-C4'-P energy: -7.954 tors. eta vs tors. theta energy: -12.308 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: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -100.126846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.126846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.126846 (E_RNA) where: Base-Base interactions energy: -62.786 where: short stacking energy: -30.958 Base-Backbone interact. energy: -0.927 local terms energy: -36.414227 where: bonds (distance) C4'-P energy: -12.370 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: 4.558 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: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -161.747188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.747188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.747188 (E_RNA) where: Base-Base interactions energy: -103.596 where: short stacking energy: -48.440 Base-Backbone interact. energy: -0.623 local terms energy: -57.528220 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -11.629 tors. eta vs tors. theta energy: -8.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -80.535771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.535771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.535771 (E_RNA) where: Base-Base interactions energy: -35.173 where: short stacking energy: -23.154 Base-Backbone interact. energy: -0.112 local terms energy: -45.251589 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -7.933 tors. eta vs tors. theta energy: -3.129 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: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -217.600024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.600024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.600024 (E_RNA) where: Base-Base interactions energy: -146.018 where: short stacking energy: -65.794 Base-Backbone interact. energy: -0.001 local terms energy: -71.581866 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -18.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -214.411177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.411177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.411177 (E_RNA) where: Base-Base interactions energy: -145.611 where: short stacking energy: -63.386 Base-Backbone interact. energy: -0.011 local terms energy: -68.788757 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -9.713 flat angles P-C4'-P energy: -12.240 tors. eta vs tors. theta energy: -17.748 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: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -217.109575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.109575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.109575 (E_RNA) where: Base-Base interactions energy: -148.553 where: short stacking energy: -57.650 Base-Backbone interact. energy: -0.424 local terms energy: -68.132002 where: bonds (distance) C4'-P energy: -12.942 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -10.626 tors. eta vs tors. theta energy: -15.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -210.865841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.865841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.865841 (E_RNA) where: Base-Base interactions energy: -146.094 where: short stacking energy: -64.510 Base-Backbone interact. energy: -0.013 local terms energy: -64.758578 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -11.635 flat angles C4'-P-C4' energy: -14.592 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -17.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -195.008934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.008934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.008934 (E_RNA) where: Base-Base interactions energy: -129.994 where: short stacking energy: -58.605 Base-Backbone interact. energy: -0.066 local terms energy: -64.949396 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -15.599 flat angles P-C4'-P energy: -9.599 tors. eta vs tors. theta energy: -16.380 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: 6, replica: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -195.559850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.559850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.559850 (E_RNA) where: Base-Base interactions energy: -136.854 where: short stacking energy: -59.040 Base-Backbone interact. energy: -0.494 local terms energy: -58.212401 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -14.995 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -15.773 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: 1 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -180.792734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.792734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.792734 (E_RNA) where: Base-Base interactions energy: -124.665 where: short stacking energy: -54.617 Base-Backbone interact. energy: 2.117 local terms energy: -58.244168 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -9.677 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: 8, replica: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -80.488525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.488525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.488525 (E_RNA) where: Base-Base interactions energy: -37.526 where: short stacking energy: -33.222 Base-Backbone interact. energy: -0.096 local terms energy: -42.866634 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -10.683 flat angles C4'-P-C4' energy: -9.489 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -4.262 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: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -68.577061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.577061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.577061 (E_RNA) where: Base-Base interactions energy: -22.297 where: short stacking energy: -20.190 Base-Backbone interact. energy: -0.148 local terms energy: -46.132135 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -12.347 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -75.879391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.879391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.879391 (E_RNA) where: Base-Base interactions energy: -30.527 where: short stacking energy: -13.759 Base-Backbone interact. energy: -0.062 local terms energy: -45.290690 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -10.584 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: 0.201 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: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -219.482791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.482791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.482791 (E_RNA) where: Base-Base interactions energy: -147.204 where: short stacking energy: -63.482 Base-Backbone interact. energy: -0.137 local terms energy: -72.141793 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -12.218 tors. eta vs tors. theta energy: -17.009 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: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -211.466317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.466317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.466317 (E_RNA) where: Base-Base interactions energy: -138.777 where: short stacking energy: -56.990 Base-Backbone interact. energy: -0.557 local terms energy: -72.132294 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -16.926 flat angles C4'-P-C4' energy: -15.584 flat angles P-C4'-P energy: -12.364 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -207.831289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.831289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.831289 (E_RNA) where: Base-Base interactions energy: -139.663 where: short stacking energy: -57.302 Base-Backbone interact. energy: -0.005 local terms energy: -68.163326 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -12.179 tors. eta vs tors. theta energy: -13.514 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: 9 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -202.125216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.125216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.125216 (E_RNA) where: Base-Base interactions energy: -132.563 where: short stacking energy: -59.934 Base-Backbone interact. energy: -0.107 local terms energy: -69.455475 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -14.649 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: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -202.342997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.342997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.342997 (E_RNA) where: Base-Base interactions energy: -137.294 where: short stacking energy: -57.808 Base-Backbone interact. energy: -0.014 local terms energy: -65.034948 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -16.851 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: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -203.909283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.909283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.909283 (E_RNA) where: Base-Base interactions energy: -139.999 where: short stacking energy: -54.603 Base-Backbone interact. energy: -0.219 local terms energy: -63.691475 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -15.736 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -13.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -192.064626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.064626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.064626 (E_RNA) where: Base-Base interactions energy: -124.778 where: short stacking energy: -59.080 Base-Backbone interact. energy: -0.140 local terms energy: -67.146709 where: bonds (distance) C4'-P energy: -13.849 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -8.874 tors. eta vs tors. theta energy: -17.726 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: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -89.498945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.498945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.498945 (E_RNA) where: Base-Base interactions energy: -47.588 where: short stacking energy: -32.243 Base-Backbone interact. energy: -0.211 local terms energy: -41.699460 where: bonds (distance) C4'-P energy: -13.220 bonds (distance) P-C4' energy: -11.529 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -10.646 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -70.203107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.203107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.203107 (E_RNA) where: Base-Base interactions energy: -19.707 where: short stacking energy: -17.865 Base-Backbone interact. energy: 1.335 local terms energy: -51.831062 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -12.252 flat angles C4'-P-C4' energy: -12.619 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -61.593240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.593240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.593240 (E_RNA) where: Base-Base interactions energy: -25.123 where: short stacking energy: -25.123 Base-Backbone interact. energy: -0.046 local terms energy: -36.424852 where: bonds (distance) C4'-P energy: -9.832 bonds (distance) P-C4' energy: -7.476 flat angles C4'-P-C4' energy: -12.861 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -0.582 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: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -223.073885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.073885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.073885 (E_RNA) where: Base-Base interactions energy: -149.604 where: short stacking energy: -68.673 Base-Backbone interact. energy: -0.576 local terms energy: -72.893520 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -11.801 tors. eta vs tors. theta energy: -19.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -221.374621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.374621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.374621 (E_RNA) where: Base-Base interactions energy: -145.267 where: short stacking energy: -66.777 Base-Backbone interact. energy: -0.503 local terms energy: -75.603769 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -21.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -203.041099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.041099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.041099 (E_RNA) where: Base-Base interactions energy: -134.294 where: short stacking energy: -60.507 Base-Backbone interact. energy: -0.001 local terms energy: -68.745574 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -12.013 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -18.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -206.532916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.532916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.532916 (E_RNA) where: Base-Base interactions energy: -142.966 where: short stacking energy: -60.834 Base-Backbone interact. energy: -0.221 local terms energy: -63.345843 where: bonds (distance) C4'-P energy: -9.125 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -16.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -202.706026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.706026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.706026 (E_RNA) where: Base-Base interactions energy: -145.395 where: short stacking energy: -58.016 Base-Backbone interact. energy: -0.080 local terms energy: -57.230300 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -11.494 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -10.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -200.010515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.010515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.010515 (E_RNA) where: Base-Base interactions energy: -134.134 where: short stacking energy: -52.796 Base-Backbone interact. energy: -0.059 local terms energy: -65.817160 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -14.708 flat angles C4'-P-C4' energy: -16.082 flat angles P-C4'-P energy: -10.097 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: 7, replica: 1 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -184.434553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.434553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.434553 (E_RNA) where: Base-Base interactions energy: -121.309 where: short stacking energy: -59.593 Base-Backbone interact. energy: -0.003 local terms energy: -63.121740 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -19.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -87.940655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.940655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.940655 (E_RNA) where: Base-Base interactions energy: -39.991 where: short stacking energy: -33.090 Base-Backbone interact. energy: -0.029 local terms energy: -47.920698 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -11.585 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -3.954 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: 4 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -77.386350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.386350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.386350 (E_RNA) where: Base-Base interactions energy: -30.954 where: short stacking energy: -30.954 Base-Backbone interact. energy: -0.243 local terms energy: -46.188875 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -10.406 flat angles C4'-P-C4' energy: -10.386 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -69.618559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.618559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.618559 (E_RNA) where: Base-Base interactions energy: -21.327 where: short stacking energy: -21.327 Base-Backbone interact. energy: -0.081 local terms energy: -48.209986 where: bonds (distance) C4'-P energy: -9.770 bonds (distance) P-C4' energy: -16.401 flat angles C4'-P-C4' energy: -10.947 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -1.425 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: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -223.397496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.397496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.397496 (E_RNA) where: Base-Base interactions energy: -151.600 where: short stacking energy: -72.572 Base-Backbone interact. energy: -0.010 local terms energy: -71.787092 where: bonds (distance) C4'-P energy: -12.623 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -15.863 flat angles P-C4'-P energy: -11.701 tors. eta vs tors. theta energy: -19.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -208.273553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.273553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.273553 (E_RNA) where: Base-Base interactions energy: -139.589 where: short stacking energy: -62.048 Base-Backbone interact. energy: -0.435 local terms energy: -68.249244 where: bonds (distance) C4'-P energy: -13.062 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -18.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -213.664809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.664809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.664809 (E_RNA) where: Base-Base interactions energy: -147.979 where: short stacking energy: -63.007 Base-Backbone interact. energy: -0.106 local terms energy: -65.579512 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -9.897 tors. eta vs tors. theta energy: -20.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -210.360715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.360715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.360715 (E_RNA) where: Base-Base interactions energy: -143.592 where: short stacking energy: -65.551 Base-Backbone interact. energy: -0.198 local terms energy: -66.571263 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -18.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -204.337700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.337700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.337700 (E_RNA) where: Base-Base interactions energy: -143.510 where: short stacking energy: -56.799 Base-Backbone interact. energy: -0.185 local terms energy: -60.642556 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -12.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -193.640611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.640611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.640611 (E_RNA) where: Base-Base interactions energy: -133.543 where: short stacking energy: -47.290 Base-Backbone interact. energy: -0.178 local terms energy: -59.918995 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -16.051 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -6.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -191.887658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.887658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.887658 (E_RNA) where: Base-Base interactions energy: -136.340 where: short stacking energy: -57.995 Base-Backbone interact. energy: -0.055 local terms energy: -55.493028 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -9.874 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -16.079 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: 121 Temperature: 1.250000 Total energy: -91.278015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.278015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.278015 (E_RNA) where: Base-Base interactions energy: -49.103 where: short stacking energy: -41.689 Base-Backbone interact. energy: -0.077 local terms energy: -42.098824 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -9.699 flat angles C4'-P-C4' energy: -8.788 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -8.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -83.968132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.968132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.968132 (E_RNA) where: Base-Base interactions energy: -33.739 where: short stacking energy: -33.739 Base-Backbone interact. energy: -0.012 local terms energy: -50.217201 where: bonds (distance) C4'-P energy: -10.507 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -9.704 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: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -75.713504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.713504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.713504 (E_RNA) where: Base-Base interactions energy: -34.312 where: short stacking energy: -33.752 Base-Backbone interact. energy: -0.093 local terms energy: -41.308496 where: bonds (distance) C4'-P energy: -8.998 bonds (distance) P-C4' energy: -11.127 flat angles C4'-P-C4' energy: -12.511 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -4.610 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: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -227.855819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.855819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.855819 (E_RNA) where: Base-Base interactions energy: -149.959 where: short stacking energy: -67.883 Base-Backbone interact. energy: -0.312 local terms energy: -77.585338 where: bonds (distance) C4'-P energy: -15.786 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -21.645 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: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -208.780923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.780923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.780923 (E_RNA) where: Base-Base interactions energy: -139.267 where: short stacking energy: -67.132 Base-Backbone interact. energy: -0.245 local terms energy: -69.269273 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -12.254 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -19.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -217.575982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.575982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.575982 (E_RNA) where: Base-Base interactions energy: -145.748 where: short stacking energy: -66.995 Base-Backbone interact. energy: -0.017 local terms energy: -71.811277 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -11.854 flat angles P-C4'-P energy: -9.904 tors. eta vs tors. theta energy: -21.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -217.071437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.071437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.071437 (E_RNA) where: Base-Base interactions energy: -147.792 where: short stacking energy: -63.043 Base-Backbone interact. energy: -0.692 local terms energy: -68.587123 where: bonds (distance) C4'-P energy: -13.819 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -18.301 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: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -198.555649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.555649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.555649 (E_RNA) where: Base-Base interactions energy: -141.257 where: short stacking energy: -50.931 Base-Backbone interact. energy: -0.116 local terms energy: -57.183334 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -8.736 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: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -199.665316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.665316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.665316 (E_RNA) where: Base-Base interactions energy: -137.663 where: short stacking energy: -60.977 Base-Backbone interact. energy: 0.091 local terms energy: -62.092771 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -12.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -190.632766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.632766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.632766 (E_RNA) where: Base-Base interactions energy: -128.807 where: short stacking energy: -63.576 Base-Backbone interact. energy: -0.014 local terms energy: -61.812008 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -9.826 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -11.268 tors. eta vs tors. theta energy: -16.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -80.491194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.491194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.491194 (E_RNA) where: Base-Base interactions energy: -32.582 where: short stacking energy: -32.582 Base-Backbone interact. energy: -0.055 local terms energy: -47.854635 where: bonds (distance) C4'-P energy: -10.578 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -70.753007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.753007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.753007 (E_RNA) where: Base-Base interactions energy: -22.405 where: short stacking energy: -22.031 Base-Backbone interact. energy: -0.588 local terms energy: -47.760448 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -11.224 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -69.592737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.592737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.592737 (E_RNA) where: Base-Base interactions energy: -22.902 where: short stacking energy: -22.902 Base-Backbone interact. energy: -0.147 local terms energy: -46.543798 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -9.785 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -224.550542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.550542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.550542 (E_RNA) where: Base-Base interactions energy: -150.883 where: short stacking energy: -67.296 Base-Backbone interact. energy: 0.235 local terms energy: -73.902995 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -17.873 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -20.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -206.867362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.867362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.867362 (E_RNA) where: Base-Base interactions energy: -133.325 where: short stacking energy: -65.213 Base-Backbone interact. energy: -0.312 local terms energy: -73.229822 where: bonds (distance) C4'-P energy: -13.732 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -18.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -212.632100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.632100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.632100 (E_RNA) where: Base-Base interactions energy: -145.377 where: short stacking energy: -64.543 Base-Backbone interact. energy: -0.027 local terms energy: -67.228931 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -12.432 flat angles C4'-P-C4' energy: -14.777 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -17.787 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: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -200.171521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.171521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.171521 (E_RNA) where: Base-Base interactions energy: -141.193 where: short stacking energy: -51.134 Base-Backbone interact. energy: -0.524 local terms energy: -58.454990 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -8.592 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -11.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -205.780063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.780063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.780063 (E_RNA) where: Base-Base interactions energy: -131.948 where: short stacking energy: -59.428 Base-Backbone interact. energy: -0.714 local terms energy: -73.119009 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -15.205 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -16.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -187.848973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.848973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.848973 (E_RNA) where: Base-Base interactions energy: -134.830 where: short stacking energy: -62.252 Base-Backbone interact. energy: 0.267 local terms energy: -53.285818 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -8.899 flat angles C4'-P-C4' energy: -12.439 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -16.787 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: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -166.195350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.195350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.195350 (E_RNA) where: Base-Base interactions energy: -109.711 where: short stacking energy: -43.057 Base-Backbone interact. energy: -0.088 local terms energy: -56.396136 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -8.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -88.898455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.898455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.898455 (E_RNA) where: Base-Base interactions energy: -34.960 where: short stacking energy: -34.960 Base-Backbone interact. energy: 0.118 local terms energy: -54.055683 where: bonds (distance) C4'-P energy: -14.373 bonds (distance) P-C4' energy: -12.185 flat angles C4'-P-C4' energy: -10.882 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -7.340 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: 4 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -86.708923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.708923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.708923 (E_RNA) where: Base-Base interactions energy: -42.841 where: short stacking energy: -23.820 Base-Backbone interact. energy: 1.858 local terms energy: -45.725558 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -80.682800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.682800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.682800 (E_RNA) where: Base-Base interactions energy: -32.242 where: short stacking energy: -19.604 Base-Backbone interact. energy: -0.367 local terms energy: -48.074287 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -10.940 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -7.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -220.962126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.962126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.962126 (E_RNA) where: Base-Base interactions energy: -146.180 where: short stacking energy: -68.686 Base-Backbone interact. energy: -0.873 local terms energy: -73.909763 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -20.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -206.048978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.048978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.048978 (E_RNA) where: Base-Base interactions energy: -132.320 where: short stacking energy: -59.808 Base-Backbone interact. energy: -0.365 local terms energy: -73.364577 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -14.003 flat angles P-C4'-P energy: -12.229 tors. eta vs tors. theta energy: -17.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -206.122979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.122979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.122979 (E_RNA) where: Base-Base interactions energy: -141.759 where: short stacking energy: -53.991 Base-Backbone interact. energy: -0.127 local terms energy: -64.236173 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -15.153 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -12.118 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: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -212.691393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.691393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.691393 (E_RNA) where: Base-Base interactions energy: -147.126 where: short stacking energy: -61.416 Base-Backbone interact. energy: -0.394 local terms energy: -65.170972 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -18.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -211.749961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.749961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.749961 (E_RNA) where: Base-Base interactions energy: -143.391 where: short stacking energy: -60.788 Base-Backbone interact. energy: -1.854 local terms energy: -66.505163 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -14.706 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -17.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -170.706633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.706633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.706633 (E_RNA) where: Base-Base interactions energy: -113.078 where: short stacking energy: -50.388 Base-Backbone interact. energy: -0.251 local terms energy: -57.377690 where: bonds (distance) C4'-P energy: -12.664 bonds (distance) P-C4' energy: -10.435 flat angles C4'-P-C4' energy: -13.532 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -11.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -167.378695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.378695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.378695 (E_RNA) where: Base-Base interactions energy: -108.248 where: short stacking energy: -54.962 Base-Backbone interact. energy: -0.160 local terms energy: -58.970785 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -14.037 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: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -83.657709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.657709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.657709 (E_RNA) where: Base-Base interactions energy: -39.822 where: short stacking energy: -27.906 Base-Backbone interact. energy: -0.289 local terms energy: -43.546674 where: bonds (distance) C4'-P energy: -8.526 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -8.851 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -1.689 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: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -92.002567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.002567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.002567 (E_RNA) where: Base-Base interactions energy: -44.630 where: short stacking energy: -33.958 Base-Backbone interact. energy: -0.144 local terms energy: -47.228752 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -7.544 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: 10, replica: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -75.431800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.431800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.431800 (E_RNA) where: Base-Base interactions energy: -39.040 where: short stacking energy: -39.040 Base-Backbone interact. energy: -0.201 local terms energy: -36.191232 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -10.995 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -8.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -221.085359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.085359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.085359 (E_RNA) where: Base-Base interactions energy: -146.305 where: short stacking energy: -64.721 Base-Backbone interact. energy: -0.023 local terms energy: -74.757659 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -16.708 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -16.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -211.281584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.281584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.281584 (E_RNA) where: Base-Base interactions energy: -142.157 where: short stacking energy: -65.889 Base-Backbone interact. energy: -0.080 local terms energy: -69.044539 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -17.169 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: 125 Temperature: 1.000000 Total energy: -201.171866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.171866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.171866 (E_RNA) where: Base-Base interactions energy: -138.451 where: short stacking energy: -52.078 Base-Backbone interact. energy: -1.449 local terms energy: -61.272000 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -14.024 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -11.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -205.862251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.862251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.862251 (E_RNA) where: Base-Base interactions energy: -142.299 where: short stacking energy: -59.367 Base-Backbone interact. energy: -0.227 local terms energy: -63.335590 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -8.847 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -7.295 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: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -212.727811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.727811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.727811 (E_RNA) where: Base-Base interactions energy: -139.063 where: short stacking energy: -64.842 Base-Backbone interact. energy: -0.195 local terms energy: -73.469325 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -16.201 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -19.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -185.852146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.852146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.852146 (E_RNA) where: Base-Base interactions energy: -123.916 where: short stacking energy: -53.469 Base-Backbone interact. energy: -0.087 local terms energy: -61.848750 where: bonds (distance) C4'-P energy: -9.385 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -14.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -191.866206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.866206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.866206 (E_RNA) where: Base-Base interactions energy: -129.509 where: short stacking energy: -53.967 Base-Backbone interact. energy: -0.001 local terms energy: -62.356563 where: bonds (distance) C4'-P energy: -12.249 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -15.621 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: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -82.335433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.335433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.335433 (E_RNA) where: Base-Base interactions energy: -43.524 where: short stacking energy: -28.038 Base-Backbone interact. energy: -0.305 local terms energy: -38.506568 where: bonds (distance) C4'-P energy: -11.763 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -73.139114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.139114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.139114 (E_RNA) where: Base-Base interactions energy: -28.720 where: short stacking energy: -17.133 Base-Backbone interact. energy: -0.502 local terms energy: -43.917328 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -77.084959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.084959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.084959 (E_RNA) where: Base-Base interactions energy: -30.933 where: short stacking energy: -20.236 Base-Backbone interact. energy: -0.420 local terms energy: -45.732675 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -9.235 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -215.175852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.175852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.175852 (E_RNA) where: Base-Base interactions energy: -143.340 where: short stacking energy: -72.052 Base-Backbone interact. energy: -0.056 local terms energy: -71.779312 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -11.529 tors. eta vs tors. theta energy: -21.120 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: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -224.720377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.720377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.720377 (E_RNA) where: Base-Base interactions energy: -155.650 where: short stacking energy: -66.378 Base-Backbone interact. energy: -0.166 local terms energy: -68.904857 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -19.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -212.633102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.633102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.633102 (E_RNA) where: Base-Base interactions energy: -146.616 where: short stacking energy: -64.986 Base-Backbone interact. energy: -0.003 local terms energy: -66.013606 where: bonds (distance) C4'-P energy: -10.222 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -14.645 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -20.695 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: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -196.395530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.395530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.395530 (E_RNA) where: Base-Base interactions energy: -134.776 where: short stacking energy: -50.619 Base-Backbone interact. energy: -0.079 local terms energy: -61.540026 where: bonds (distance) C4'-P energy: -17.094 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -6.527 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: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -207.814409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.814409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.814409 (E_RNA) where: Base-Base interactions energy: -145.659 where: short stacking energy: -61.117 Base-Backbone interact. energy: -0.005 local terms energy: -62.149805 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -10.910 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -20.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -204.855496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.855496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.855496 (E_RNA) where: Base-Base interactions energy: -139.534 where: short stacking energy: -59.152 Base-Backbone interact. energy: -0.142 local terms energy: -65.179141 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -12.252 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -16.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -186.890071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.890071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.890071 (E_RNA) where: Base-Base interactions energy: -121.878 where: short stacking energy: -58.480 Base-Backbone interact. energy: -0.407 local terms energy: -64.604921 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -19.871 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: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -83.795862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.795862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.795862 (E_RNA) where: Base-Base interactions energy: -41.512 where: short stacking energy: -17.405 Base-Backbone interact. energy: -0.233 local terms energy: -42.051187 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -9.845 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -1.828 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: 4 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -70.729563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.729563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.729563 (E_RNA) where: Base-Base interactions energy: -24.277 where: short stacking energy: -23.729 Base-Backbone interact. energy: -0.142 local terms energy: -46.310071 where: bonds (distance) C4'-P energy: -15.555 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -66.538617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.538617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.538617 (E_RNA) where: Base-Base interactions energy: -19.789 where: short stacking energy: -20.089 Base-Backbone interact. energy: -0.172 local terms energy: -46.577501 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -10.176 flat angles P-C4'-P energy: -10.184 tors. eta vs tors. theta energy: -1.113 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: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -212.764974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.764974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.764974 (E_RNA) where: Base-Base interactions energy: -139.539 where: short stacking energy: -62.707 Base-Backbone interact. energy: -0.191 local terms energy: -73.035048 where: bonds (distance) C4'-P energy: -15.902 bonds (distance) P-C4' energy: -13.767 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -11.814 tors. eta vs tors. theta energy: -16.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -218.173600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.173600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.173600 (E_RNA) where: Base-Base interactions energy: -142.393 where: short stacking energy: -60.923 Base-Backbone interact. energy: -2.606 local terms energy: -73.175206 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -11.015 tors. eta vs tors. theta energy: -21.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -218.253891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.253891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.253891 (E_RNA) where: Base-Base interactions energy: -149.148 where: short stacking energy: -65.127 Base-Backbone interact. energy: -0.124 local terms energy: -68.982018 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -12.482 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -12.239 tors. eta vs tors. theta energy: -19.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -211.191821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.191821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.191821 (E_RNA) where: Base-Base interactions energy: -145.758 where: short stacking energy: -62.002 Base-Backbone interact. energy: -0.914 local terms energy: -64.520050 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -9.958 tors. eta vs tors. theta energy: -17.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -201.158034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.158034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.158034 (E_RNA) where: Base-Base interactions energy: -145.433 where: short stacking energy: -57.553 Base-Backbone interact. energy: -0.058 local terms energy: -55.666754 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -8.607 flat angles C4'-P-C4' energy: -16.299 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -13.730 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: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -209.959096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.959096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.959096 (E_RNA) where: Base-Base interactions energy: -141.453 where: short stacking energy: -61.821 Base-Backbone interact. energy: -0.643 local terms energy: -67.863075 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -20.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -178.500015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.500015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.500015 (E_RNA) where: Base-Base interactions energy: -129.993 where: short stacking energy: -58.359 Base-Backbone interact. energy: -0.094 local terms energy: -48.413682 where: bonds (distance) C4'-P energy: -7.793 bonds (distance) P-C4' energy: -8.744 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -5.947 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: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -78.430417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.430417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.430417 (E_RNA) where: Base-Base interactions energy: -35.877 where: short stacking energy: -36.477 Base-Backbone interact. energy: -0.736 local terms energy: -41.817399 where: bonds (distance) C4'-P energy: -9.829 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -4.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -82.848736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.848736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.848736 (E_RNA) where: Base-Base interactions energy: -48.526 where: short stacking energy: -32.239 Base-Backbone interact. energy: -0.171 local terms energy: -34.151078 where: bonds (distance) C4'-P energy: -8.815 bonds (distance) P-C4' energy: -11.249 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: 0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -71.576775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.576775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.576775 (E_RNA) where: Base-Base interactions energy: -40.140 where: short stacking energy: -23.622 Base-Backbone interact. energy: -0.521 local terms energy: -30.915339 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: 2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -225.603612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.603612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.603612 (E_RNA) where: Base-Base interactions energy: -151.671 where: short stacking energy: -72.635 Base-Backbone interact. energy: -0.001 local terms energy: -73.931581 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -15.954 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -20.234 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: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -208.893117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.893117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.893117 (E_RNA) where: Base-Base interactions energy: -140.167 where: short stacking energy: -65.452 Base-Backbone interact. energy: -0.118 local terms energy: -68.607723 where: bonds (distance) C4'-P energy: -14.222 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -13.883 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -19.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -213.368452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.368452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.368452 (E_RNA) where: Base-Base interactions energy: -143.404 where: short stacking energy: -65.609 Base-Backbone interact. energy: 0.033 local terms energy: -69.997955 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -12.525 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -13.055 tors. eta vs tors. theta energy: -17.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -210.258465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.258465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.258465 (E_RNA) where: Base-Base interactions energy: -142.370 where: short stacking energy: -59.217 Base-Backbone interact. energy: -0.093 local terms energy: -67.796030 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -16.019 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: -16.221 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: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -212.883338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.883338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.883338 (E_RNA) where: Base-Base interactions energy: -140.644 where: short stacking energy: -65.208 Base-Backbone interact. energy: -0.250 local terms energy: -71.988876 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -16.097 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -19.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -196.822383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.822383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.822383 (E_RNA) where: Base-Base interactions energy: -128.208 where: short stacking energy: -51.414 Base-Backbone interact. energy: -0.488 local terms energy: -68.125910 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -16.310 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: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -182.275451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.275451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.275451 (E_RNA) where: Base-Base interactions energy: -119.067 where: short stacking energy: -53.861 Base-Backbone interact. energy: -0.014 local terms energy: -63.193807 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -12.507 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -11.931 tors. eta vs tors. theta energy: -14.520 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: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -82.464635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.464635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.464635 (E_RNA) where: Base-Base interactions energy: -38.110 where: short stacking energy: -37.596 Base-Backbone interact. energy: -0.008 local terms energy: -44.346986 where: bonds (distance) C4'-P energy: -10.412 bonds (distance) P-C4' energy: -6.099 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -6.558 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: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -74.974706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.974706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.974706 (E_RNA) where: Base-Base interactions energy: -25.050 where: short stacking energy: -25.050 Base-Backbone interact. energy: -0.134 local terms energy: -49.790227 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -10.237 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -3.681 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: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -76.466921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.466921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.466921 (E_RNA) where: Base-Base interactions energy: -36.782 where: short stacking energy: -35.646 Base-Backbone interact. energy: -0.400 local terms energy: -39.284803 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -10.480 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: 0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -221.824505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.824505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.824505 (E_RNA) where: Base-Base interactions energy: -153.262 where: short stacking energy: -68.136 Base-Backbone interact. energy: -0.006 local terms energy: -68.555742 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -16.880 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: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -220.611916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.611916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.611916 (E_RNA) where: Base-Base interactions energy: -148.749 where: short stacking energy: -72.342 Base-Backbone interact. energy: -0.003 local terms energy: -71.859585 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -11.224 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -21.664 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: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -206.631812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.631812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.631812 (E_RNA) where: Base-Base interactions energy: -136.036 where: short stacking energy: -68.593 Base-Backbone interact. energy: -0.014 local terms energy: -70.582247 where: bonds (distance) C4'-P energy: -11.108 bonds (distance) P-C4' energy: -11.149 flat angles C4'-P-C4' energy: -16.448 flat angles P-C4'-P energy: -12.281 tors. eta vs tors. theta energy: -19.596 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: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -205.336839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.336839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.336839 (E_RNA) where: Base-Base interactions energy: -140.532 where: short stacking energy: -61.347 Base-Backbone interact. energy: -0.257 local terms energy: -64.548306 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -10.295 flat angles C4'-P-C4' energy: -15.560 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -16.694 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: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -203.904998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.904998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.904998 (E_RNA) where: Base-Base interactions energy: -136.644 where: short stacking energy: -60.962 Base-Backbone interact. energy: -0.049 local terms energy: -67.212128 where: bonds (distance) C4'-P energy: -11.239 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -15.339 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -19.051 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: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -198.582292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.582292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.582292 (E_RNA) where: Base-Base interactions energy: -129.648 where: short stacking energy: -56.014 Base-Backbone interact. energy: -0.032 local terms energy: -68.902365 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: -16.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -193.994662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.994662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.994662 (E_RNA) where: Base-Base interactions energy: -138.872 where: short stacking energy: -57.020 Base-Backbone interact. energy: -0.433 local terms energy: -54.689126 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -6.784 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: 8, replica: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -86.016477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.016477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.016477 (E_RNA) where: Base-Base interactions energy: -32.827 where: short stacking energy: -32.827 Base-Backbone interact. energy: -0.033 local terms energy: -53.156575 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -13.340 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -69.601922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.601922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.601922 (E_RNA) where: Base-Base interactions energy: -23.879 where: short stacking energy: -23.879 Base-Backbone interact. energy: -0.262 local terms energy: -45.460603 where: bonds (distance) C4'-P energy: -9.745 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -9.945 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: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -118.822781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.822781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.822781 (E_RNA) where: Base-Base interactions energy: -78.605 where: short stacking energy: -38.260 Base-Backbone interact. energy: 0.127 local terms energy: -40.344649 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -220.922596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.922596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.922596 (E_RNA) where: Base-Base interactions energy: -151.593 where: short stacking energy: -66.983 Base-Backbone interact. energy: -0.002 local terms energy: -69.328165 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -12.678 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -11.139 tors. eta vs tors. theta energy: -20.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -220.605376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.605376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.605376 (E_RNA) where: Base-Base interactions energy: -150.801 where: short stacking energy: -70.560 Base-Backbone interact. energy: -0.007 local terms energy: -69.797185 where: bonds (distance) C4'-P energy: -11.489 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -18.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -215.048946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.048946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.048946 (E_RNA) where: Base-Base interactions energy: -148.755 where: short stacking energy: -64.432 Base-Backbone interact. energy: -0.471 local terms energy: -65.822533 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -12.297 flat angles C4'-P-C4' energy: -15.268 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -16.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -191.612824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.612824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.612824 (E_RNA) where: Base-Base interactions energy: -125.234 where: short stacking energy: -53.843 Base-Backbone interact. energy: -0.025 local terms energy: -66.353581 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -11.468 flat angles P-C4'-P energy: -10.452 tors. eta vs tors. theta energy: -18.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -212.284435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.284435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.284435 (E_RNA) where: Base-Base interactions energy: -141.783 where: short stacking energy: -66.364 Base-Backbone interact. energy: -0.006 local terms energy: -70.495580 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -14.487 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -10.705 tors. eta vs tors. theta energy: -17.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -189.564067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.564067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.564067 (E_RNA) where: Base-Base interactions energy: -122.755 where: short stacking energy: -56.494 Base-Backbone interact. energy: -0.017 local terms energy: -66.792323 where: bonds (distance) C4'-P energy: -11.753 bonds (distance) P-C4' energy: -14.573 flat angles C4'-P-C4' energy: -15.122 flat angles P-C4'-P energy: -10.621 tors. eta vs tors. theta energy: -14.722 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: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -191.352879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.352879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.352879 (E_RNA) where: Base-Base interactions energy: -129.896 where: short stacking energy: -52.298 Base-Backbone interact. energy: -0.066 local terms energy: -61.390664 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -17.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -109.791741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.791741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.791741 (E_RNA) where: Base-Base interactions energy: -69.701 where: short stacking energy: -29.522 Base-Backbone interact. energy: -0.170 local terms energy: -39.920789 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -0.200 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: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -115.953091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.953091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.953091 (E_RNA) where: Base-Base interactions energy: -78.541 where: short stacking energy: -32.593 Base-Backbone interact. energy: -0.444 local terms energy: -36.968561 where: bonds (distance) C4'-P energy: -9.250 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -11.027 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.404 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: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -81.249603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.249603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.249603 (E_RNA) where: Base-Base interactions energy: -33.587 where: short stacking energy: -33.587 Base-Backbone interact. energy: -0.113 local terms energy: -47.549363 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -5.954 tors. eta vs tors. theta energy: -7.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -221.226363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.226363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.226363 (E_RNA) where: Base-Base interactions energy: -150.303 where: short stacking energy: -64.991 Base-Backbone interact. energy: -0.153 local terms energy: -70.769554 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -12.280 tors. eta vs tors. theta energy: -18.576 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: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -215.467768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.467768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.467768 (E_RNA) where: Base-Base interactions energy: -143.174 where: short stacking energy: -64.284 Base-Backbone interact. energy: -0.240 local terms energy: -72.053187 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -9.319 tors. eta vs tors. theta energy: -19.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -217.575399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.575399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.575399 (E_RNA) where: Base-Base interactions energy: -146.935 where: short stacking energy: -68.080 Base-Backbone interact. energy: -1.024 local terms energy: -69.615548 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -20.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -215.872784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.872784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.872784 (E_RNA) where: Base-Base interactions energy: -145.374 where: short stacking energy: -65.174 Base-Backbone interact. energy: -0.017 local terms energy: -70.481472 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -15.558 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -17.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -203.674291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.674291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.674291 (E_RNA) where: Base-Base interactions energy: -137.002 where: short stacking energy: -60.106 Base-Backbone interact. energy: -0.360 local terms energy: -66.312439 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -12.666 tors. eta vs tors. theta energy: -17.789 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: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -190.314614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.314614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.314614 (E_RNA) where: Base-Base interactions energy: -129.452 where: short stacking energy: -57.552 Base-Backbone interact. energy: -0.029 local terms energy: -60.834088 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -12.871 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -14.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -192.949363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.949363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.949363 (E_RNA) where: Base-Base interactions energy: -127.765 where: short stacking energy: -57.125 Base-Backbone interact. energy: -0.039 local terms energy: -65.145457 where: bonds (distance) C4'-P energy: -15.529 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -16.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -102.247928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.247928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.247928 (E_RNA) where: Base-Base interactions energy: -59.263 where: short stacking energy: -28.424 Base-Backbone interact. energy: -0.379 local terms energy: -42.606004 where: bonds (distance) C4'-P energy: -11.018 bonds (distance) P-C4' energy: -11.444 flat angles C4'-P-C4' energy: -10.614 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: 0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -91.284964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.284964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.284964 (E_RNA) where: Base-Base interactions energy: -44.967 where: short stacking energy: -31.340 Base-Backbone interact. energy: -0.067 local terms energy: -46.251250 where: bonds (distance) C4'-P energy: -9.229 bonds (distance) P-C4' energy: -13.932 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -8.980 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: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -70.405715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.405715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.405715 (E_RNA) where: Base-Base interactions energy: -25.528 where: short stacking energy: -25.528 Base-Backbone interact. energy: 0.018 local terms energy: -44.895135 where: bonds (distance) C4'-P energy: -2.072 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -10.627 tors. eta vs tors. theta energy: -6.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -221.639071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.639071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.639071 (E_RNA) where: Base-Base interactions energy: -151.042 where: short stacking energy: -68.495 Base-Backbone interact. energy: -0.002 local terms energy: -70.595192 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -18.390 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: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -217.545693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.545693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.545693 (E_RNA) where: Base-Base interactions energy: -152.233 where: short stacking energy: -67.891 Base-Backbone interact. energy: -0.331 local terms energy: -64.981125 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -12.599 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -18.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -214.895905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.895905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.895905 (E_RNA) where: Base-Base interactions energy: -150.353 where: short stacking energy: -65.705 Base-Backbone interact. energy: -0.154 local terms energy: -64.389334 where: bonds (distance) C4'-P energy: -8.081 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -9.643 tors. eta vs tors. theta energy: -17.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -206.399578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.399578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.399578 (E_RNA) where: Base-Base interactions energy: -142.798 where: short stacking energy: -63.121 Base-Backbone interact. energy: -0.037 local terms energy: -63.565085 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -9.131 tors. eta vs tors. theta energy: -16.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -196.760328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.760328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.760328 (E_RNA) where: Base-Base interactions energy: -131.835 where: short stacking energy: -60.518 Base-Backbone interact. energy: -0.102 local terms energy: -64.823861 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -20.048 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: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -194.599493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.599493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.599493 (E_RNA) where: Base-Base interactions energy: -134.676 where: short stacking energy: -58.730 Base-Backbone interact. energy: -0.098 local terms energy: -59.824836 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -16.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -164.434252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.434252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.434252 (E_RNA) where: Base-Base interactions energy: -107.184 where: short stacking energy: -48.537 Base-Backbone interact. energy: -0.143 local terms energy: -57.107579 where: bonds (distance) C4'-P energy: -10.465 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -14.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -118.708449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.708449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.708449 (E_RNA) where: Base-Base interactions energy: -72.719 where: short stacking energy: -46.891 Base-Backbone interact. energy: -0.038 local terms energy: -45.951819 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -8.441 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: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -73.750819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.750819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.750819 (E_RNA) where: Base-Base interactions energy: -28.989 where: short stacking energy: -27.326 Base-Backbone interact. energy: -0.174 local terms energy: -44.587569 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -8.536 flat angles C4'-P-C4' energy: -10.038 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -75.740754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.740754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.740754 (E_RNA) where: Base-Base interactions energy: -25.591 where: short stacking energy: -25.591 Base-Backbone interact. energy: -0.814 local terms energy: -49.335456 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -11.757 flat angles C4'-P-C4' energy: -12.051 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -222.736435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.736435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.736435 (E_RNA) where: Base-Base interactions energy: -149.585 where: short stacking energy: -64.858 Base-Backbone interact. energy: -0.041 local terms energy: -73.110535 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -16.602 flat angles P-C4'-P energy: -10.041 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: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -210.427375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.427375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.427375 (E_RNA) where: Base-Base interactions energy: -139.235 where: short stacking energy: -61.524 Base-Backbone interact. energy: -0.103 local terms energy: -71.089242 where: bonds (distance) C4'-P energy: -12.847 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -11.625 tors. eta vs tors. theta energy: -17.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -214.306661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.306661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.306661 (E_RNA) where: Base-Base interactions energy: -145.854 where: short stacking energy: -62.043 Base-Backbone interact. energy: -0.998 local terms energy: -67.454268 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -14.887 flat angles C4'-P-C4' energy: -14.347 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -18.269 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: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -193.101793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.101793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.101793 (E_RNA) where: Base-Base interactions energy: -124.012 where: short stacking energy: -55.603 Base-Backbone interact. energy: -0.076 local terms energy: -69.013206 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -12.580 flat angles C4'-P-C4' energy: -16.079 flat angles P-C4'-P energy: -12.095 tors. eta vs tors. theta energy: -13.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -201.863087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.863087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.863087 (E_RNA) where: Base-Base interactions energy: -135.908 where: short stacking energy: -59.111 Base-Backbone interact. energy: -0.274 local terms energy: -65.680237 where: bonds (distance) C4'-P energy: -14.527 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -12.190 tors. eta vs tors. theta energy: -11.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -209.907336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.907336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.907336 (E_RNA) where: Base-Base interactions energy: -143.126 where: short stacking energy: -59.754 Base-Backbone interact. energy: -0.575 local terms energy: -66.207026 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -10.979 tors. eta vs tors. theta energy: -15.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -179.545361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.545361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.545361 (E_RNA) where: Base-Base interactions energy: -116.053 where: short stacking energy: -57.580 Base-Backbone interact. energy: -0.050 local terms energy: -63.442205 where: bonds (distance) C4'-P energy: -13.849 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -15.164 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: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -117.085326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.085326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.085326 (E_RNA) where: Base-Base interactions energy: -63.259 where: short stacking energy: -37.331 Base-Backbone interact. energy: 0.645 local terms energy: -54.470732 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -7.754 tors. eta vs tors. theta energy: -9.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -74.831161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.831161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.831161 (E_RNA) where: Base-Base interactions energy: -28.507 where: short stacking energy: -19.350 Base-Backbone interact. energy: 0.118 local terms energy: -46.441872 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -13.981 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -1.782 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: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -72.625861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.625861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.625861 (E_RNA) where: Base-Base interactions energy: -29.780 where: short stacking energy: -27.184 Base-Backbone interact. energy: -0.351 local terms energy: -42.494356 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -224.168755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.168755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.168755 (E_RNA) where: Base-Base interactions energy: -158.537 where: short stacking energy: -66.857 Base-Backbone interact. energy: -0.090 local terms energy: -65.541858 where: bonds (distance) C4'-P energy: -11.383 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -19.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -211.803992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.803992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.803992 (E_RNA) where: Base-Base interactions energy: -146.522 where: short stacking energy: -57.621 Base-Backbone interact. energy: -0.111 local terms energy: -65.170527 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -9.947 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -16.459 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: 7 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -222.099165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.099165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.099165 (E_RNA) where: Base-Base interactions energy: -151.567 where: short stacking energy: -68.805 Base-Backbone interact. energy: -0.012 local terms energy: -70.520366 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -15.311 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -18.502 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: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -202.583875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.583875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.583875 (E_RNA) where: Base-Base interactions energy: -134.619 where: short stacking energy: -60.289 Base-Backbone interact. energy: -0.029 local terms energy: -67.936050 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -20.373 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: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -209.115641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.115641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.115641 (E_RNA) where: Base-Base interactions energy: -142.351 where: short stacking energy: -64.580 Base-Backbone interact. energy: -0.012 local terms energy: -66.752800 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -12.034 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -12.375 tors. eta vs tors. theta energy: -15.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -205.486577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.486577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.486577 (E_RNA) where: Base-Base interactions energy: -142.353 where: short stacking energy: -63.639 Base-Backbone interact. energy: -0.151 local terms energy: -62.982068 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -8.777 tors. eta vs tors. theta energy: -15.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -187.679029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.679029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.679029 (E_RNA) where: Base-Base interactions energy: -124.181 where: short stacking energy: -59.998 Base-Backbone interact. energy: -0.726 local terms energy: -62.771923 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -12.235 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -6.638 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: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -128.127053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.127053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.127053 (E_RNA) where: Base-Base interactions energy: -75.344 where: short stacking energy: -45.549 Base-Backbone interact. energy: -0.093 local terms energy: -52.690442 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -12.673 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: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -77.735768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.735768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.735768 (E_RNA) where: Base-Base interactions energy: -26.605 where: short stacking energy: -29.005 Base-Backbone interact. energy: -0.204 local terms energy: -50.927299 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -83.168489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.168489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.168489 (E_RNA) where: Base-Base interactions energy: -41.360 where: short stacking energy: -27.586 Base-Backbone interact. energy: -0.101 local terms energy: -41.706780 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -11.657 flat angles C4'-P-C4' energy: -11.140 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -2.922 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: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -223.246702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.246702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.246702 (E_RNA) where: Base-Base interactions energy: -150.932 where: short stacking energy: -63.786 Base-Backbone interact. energy: -0.002 local terms energy: -72.311993 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -17.929 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: 135 Temperature: 0.950000 Total energy: -222.524373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.524373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.524373 (E_RNA) where: Base-Base interactions energy: -150.909 where: short stacking energy: -68.707 Base-Backbone interact. energy: -0.009 local terms energy: -71.605538 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -9.703 tors. eta vs tors. theta energy: -20.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -213.129934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.129934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.129934 (E_RNA) where: Base-Base interactions energy: -144.142 where: short stacking energy: -61.692 Base-Backbone interact. energy: -0.248 local terms energy: -68.740206 where: bonds (distance) C4'-P energy: -11.836 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -16.260 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: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -215.789450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.789450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.789450 (E_RNA) where: Base-Base interactions energy: -147.070 where: short stacking energy: -65.804 Base-Backbone interact. energy: -0.036 local terms energy: -68.682949 where: bonds (distance) C4'-P energy: -9.114 bonds (distance) P-C4' energy: -13.706 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -11.571 tors. eta vs tors. theta energy: -19.567 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: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -195.105933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.105933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.105933 (E_RNA) where: Base-Base interactions energy: -133.341 where: short stacking energy: -58.890 Base-Backbone interact. energy: -0.257 local terms energy: -61.507610 where: bonds (distance) C4'-P energy: -8.080 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -17.511 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: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -197.953309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.953309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.953309 (E_RNA) where: Base-Base interactions energy: -136.677 where: short stacking energy: -55.646 Base-Backbone interact. energy: -0.011 local terms energy: -61.265196 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -19.961 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: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -184.579962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.579962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.579962 (E_RNA) where: Base-Base interactions energy: -121.667 where: short stacking energy: -52.384 Base-Backbone interact. energy: -0.009 local terms energy: -62.903605 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -11.782 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -11.465 tors. eta vs tors. theta energy: -12.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -118.180841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.180841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.180841 (E_RNA) where: Base-Base interactions energy: -68.197 where: short stacking energy: -35.838 Base-Backbone interact. energy: 0.229 local terms energy: -50.212947 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -11.920 flat angles P-C4'-P energy: -0.787 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -75.074030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.074030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.074030 (E_RNA) where: Base-Base interactions energy: -29.979 where: short stacking energy: -29.619 Base-Backbone interact. energy: -0.105 local terms energy: -44.990439 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -11.831 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -70.728481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.728481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.728481 (E_RNA) where: Base-Base interactions energy: -20.905 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.044 local terms energy: -49.779640 where: bonds (distance) C4'-P energy: -11.125 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -11.152 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -6.146 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: 136 Temperature: 0.900000 Total energy: -222.973205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.973205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.973205 (E_RNA) where: Base-Base interactions energy: -155.364 where: short stacking energy: -65.787 Base-Backbone interact. energy: -0.334 local terms energy: -67.275285 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -16.725 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -17.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -218.926144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.926144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.926144 (E_RNA) where: Base-Base interactions energy: -148.874 where: short stacking energy: -68.895 Base-Backbone interact. energy: -0.015 local terms energy: -70.036770 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -11.210 tors. eta vs tors. theta energy: -19.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -219.893837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.893837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.893837 (E_RNA) where: Base-Base interactions energy: -153.275 where: short stacking energy: -71.554 Base-Backbone interact. energy: -0.304 local terms energy: -66.314526 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -11.403 flat angles C4'-P-C4' energy: -14.224 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -20.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -208.257504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.257504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.257504 (E_RNA) where: Base-Base interactions energy: -141.639 where: short stacking energy: -59.898 Base-Backbone interact. energy: -0.074 local terms energy: -66.544735 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -16.312 flat angles P-C4'-P energy: -7.628 tors. eta vs tors. theta energy: -17.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -211.201218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.201218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.201218 (E_RNA) where: Base-Base interactions energy: -148.576 where: short stacking energy: -59.768 Base-Backbone interact. energy: -0.039 local terms energy: -62.586405 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -14.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -198.430872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.430872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.430872 (E_RNA) where: Base-Base interactions energy: -130.119 where: short stacking energy: -59.099 Base-Backbone interact. energy: -1.019 local terms energy: -67.293367 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -16.543 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: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -171.359591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.359591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.359591 (E_RNA) where: Base-Base interactions energy: -119.269 where: short stacking energy: -52.880 Base-Backbone interact. energy: -0.024 local terms energy: -52.066869 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -12.685 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -11.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -114.520093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.520093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.520093 (E_RNA) where: Base-Base interactions energy: -68.881 where: short stacking energy: -33.509 Base-Backbone interact. energy: -0.224 local terms energy: -45.415238 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -12.018 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -1.736 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: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -84.014458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.014458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.014458 (E_RNA) where: Base-Base interactions energy: -29.525 where: short stacking energy: -22.239 Base-Backbone interact. energy: -1.244 local terms energy: -53.245213 where: bonds (distance) C4'-P energy: -13.351 bonds (distance) P-C4' energy: -16.469 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -8.458 tors. eta vs tors. theta energy: -2.247 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: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -72.010746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.010746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.010746 (E_RNA) where: Base-Base interactions energy: -29.234 where: short stacking energy: -29.234 Base-Backbone interact. energy: -0.146 local terms energy: -42.630805 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -8.557 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -5.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -217.632302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.632302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.632302 (E_RNA) where: Base-Base interactions energy: -146.213 where: short stacking energy: -61.767 Base-Backbone interact. energy: -0.193 local terms energy: -71.226044 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -16.243 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -217.700389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.700389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.700389 (E_RNA) where: Base-Base interactions energy: -147.884 where: short stacking energy: -58.151 Base-Backbone interact. energy: -0.102 local terms energy: -69.714636 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -15.389 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -16.247 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: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -213.341069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.341069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.341069 (E_RNA) where: Base-Base interactions energy: -148.454 where: short stacking energy: -63.472 Base-Backbone interact. energy: -0.001 local terms energy: -64.885764 where: bonds (distance) C4'-P energy: -11.145 bonds (distance) P-C4' energy: -14.362 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -17.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -207.715361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.715361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.715361 (E_RNA) where: Base-Base interactions energy: -143.795 where: short stacking energy: -57.765 Base-Backbone interact. energy: -0.106 local terms energy: -63.814830 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -15.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -205.868189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.868189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.868189 (E_RNA) where: Base-Base interactions energy: -145.122 where: short stacking energy: -59.586 Base-Backbone interact. energy: -0.079 local terms energy: -60.667431 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -11.209 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -19.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -149.928386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.928386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.928386 (E_RNA) where: Base-Base interactions energy: -97.067 where: short stacking energy: -50.326 Base-Backbone interact. energy: -0.054 local terms energy: -52.807937 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -9.910 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: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -192.230260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.230260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.230260 (E_RNA) where: Base-Base interactions energy: -131.161 where: short stacking energy: -52.715 Base-Backbone interact. energy: -0.715 local terms energy: -60.353680 where: bonds (distance) C4'-P energy: -10.181 bonds (distance) P-C4' energy: -11.627 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -14.149 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: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -101.786429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.786429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.786429 (E_RNA) where: Base-Base interactions energy: -50.103 where: short stacking energy: -40.439 Base-Backbone interact. energy: -0.027 local terms energy: -51.656863 where: bonds (distance) C4'-P energy: -10.097 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -9.727 flat angles P-C4'-P energy: -9.311 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: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -80.083273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.083273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.083273 (E_RNA) where: Base-Base interactions energy: -28.443 where: short stacking energy: -20.824 Base-Backbone interact. energy: -0.014 local terms energy: -51.626553 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -70.377980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.377980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.377980 (E_RNA) where: Base-Base interactions energy: -27.670 where: short stacking energy: -27.670 Base-Backbone interact. energy: 0.144 local terms energy: -42.852100 where: bonds (distance) C4'-P energy: -10.910 bonds (distance) P-C4' energy: -8.971 flat angles C4'-P-C4' energy: -8.606 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -227.429165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.429165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.429165 (E_RNA) where: Base-Base interactions energy: -156.178 where: short stacking energy: -70.850 Base-Backbone interact. energy: -0.220 local terms energy: -71.030893 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -19.736 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: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -219.770756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.770756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.770756 (E_RNA) where: Base-Base interactions energy: -155.817 where: short stacking energy: -67.451 Base-Backbone interact. energy: -0.006 local terms energy: -63.947750 where: bonds (distance) C4'-P energy: -8.653 bonds (distance) P-C4' energy: -10.546 flat angles C4'-P-C4' energy: -16.196 flat angles P-C4'-P energy: -8.345 tors. eta vs tors. theta energy: -20.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -215.709185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.709185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.709185 (E_RNA) where: Base-Base interactions energy: -146.293 where: short stacking energy: -64.722 Base-Backbone interact. energy: -0.038 local terms energy: -69.378173 where: bonds (distance) C4'-P energy: -10.690 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -15.135 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -17.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -211.424770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.424770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.424770 (E_RNA) where: Base-Base interactions energy: -148.732 where: short stacking energy: -65.012 Base-Backbone interact. energy: -0.262 local terms energy: -62.430628 where: bonds (distance) C4'-P energy: -12.176 bonds (distance) P-C4' energy: -9.319 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -15.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -206.598302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.598302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.598302 (E_RNA) where: Base-Base interactions energy: -144.304 where: short stacking energy: -64.783 Base-Backbone interact. energy: -0.003 local terms energy: -62.290593 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -10.417 flat angles C4'-P-C4' energy: -11.051 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -18.989 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: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -159.893442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.893442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.893442 (E_RNA) where: Base-Base interactions energy: -108.460 where: short stacking energy: -52.163 Base-Backbone interact. energy: -0.131 local terms energy: -51.302398 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -8.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -190.096822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.096822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.096822 (E_RNA) where: Base-Base interactions energy: -125.869 where: short stacking energy: -52.435 Base-Backbone interact. energy: -0.012 local terms energy: -64.216389 where: bonds (distance) C4'-P energy: -9.900 bonds (distance) P-C4' energy: -13.767 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -15.925 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: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -80.153215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.153215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.153215 (E_RNA) where: Base-Base interactions energy: -37.950 where: short stacking energy: -32.942 Base-Backbone interact. energy: 0.656 local terms energy: -42.859110 where: bonds (distance) C4'-P energy: -8.980 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -10.382 flat angles P-C4'-P energy: -8.061 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -76.540728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.540728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.540728 (E_RNA) where: Base-Base interactions energy: -26.131 where: short stacking energy: -26.131 Base-Backbone interact. energy: -0.001 local terms energy: -50.408963 where: bonds (distance) C4'-P energy: -6.277 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -14.663 flat angles P-C4'-P energy: -7.768 tors. eta vs tors. theta energy: -5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -78.883727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.883727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.883727 (E_RNA) where: Base-Base interactions energy: -34.594 where: short stacking energy: -34.594 Base-Backbone interact. energy: -0.169 local terms energy: -44.120720 where: bonds (distance) C4'-P energy: -10.375 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -13.263 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -5.894 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: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -225.495561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.495561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.495561 (E_RNA) where: Base-Base interactions energy: -155.170 where: short stacking energy: -73.643 Base-Backbone interact. energy: -0.084 local terms energy: -70.242161 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -21.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -218.032209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.032209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.032209 (E_RNA) where: Base-Base interactions energy: -146.492 where: short stacking energy: -62.898 Base-Backbone interact. energy: -0.476 local terms energy: -71.064002 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -12.260 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -20.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -210.966960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.966960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.966960 (E_RNA) where: Base-Base interactions energy: -142.615 where: short stacking energy: -57.358 Base-Backbone interact. energy: -0.063 local terms energy: -68.288431 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -18.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -203.451677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.451677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.451677 (E_RNA) where: Base-Base interactions energy: -139.652 where: short stacking energy: -62.145 Base-Backbone interact. energy: -2.304 local terms energy: -61.495511 where: bonds (distance) C4'-P energy: -10.271 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -14.840 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -210.525815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.525815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.525815 (E_RNA) where: Base-Base interactions energy: -140.353 where: short stacking energy: -57.050 Base-Backbone interact. energy: -0.005 local terms energy: -70.168106 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -15.058 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -12.834 tors. eta vs tors. theta energy: -14.814 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: 139 Temperature: 1.150000 Total energy: -184.222307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.222307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.222307 (E_RNA) where: Base-Base interactions energy: -118.693 where: short stacking energy: -53.469 Base-Backbone interact. energy: -0.112 local terms energy: -65.416966 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -15.941 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -11.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -164.950055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.950055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.950055 (E_RNA) where: Base-Base interactions energy: -102.834 where: short stacking energy: -50.307 Base-Backbone interact. energy: -0.831 local terms energy: -61.285224 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -15.421 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: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -81.188972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.188972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.188972 (E_RNA) where: Base-Base interactions energy: -24.721 where: short stacking energy: -24.721 Base-Backbone interact. energy: -0.032 local terms energy: -56.436029 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -3.802 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: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -83.160217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.160217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.160217 (E_RNA) where: Base-Base interactions energy: -38.978 where: short stacking energy: -23.303 Base-Backbone interact. energy: -0.092 local terms energy: -44.090556 where: bonds (distance) C4'-P energy: -9.021 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -78.373305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.373305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.373305 (E_RNA) where: Base-Base interactions energy: -36.045 where: short stacking energy: -25.651 Base-Backbone interact. energy: -0.022 local terms energy: -42.306814 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -8.899 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -1.614 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: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -227.656771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.656771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.656771 (E_RNA) where: Base-Base interactions energy: -152.034 where: short stacking energy: -64.207 Base-Backbone interact. energy: -0.408 local terms energy: -75.213943 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -16.946 flat angles P-C4'-P energy: -12.456 tors. eta vs tors. theta energy: -19.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -218.371854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.371854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.371854 (E_RNA) where: Base-Base interactions energy: -146.916 where: short stacking energy: -65.125 Base-Backbone interact. energy: -0.000 local terms energy: -71.455433 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -13.212 tors. eta vs tors. theta energy: -19.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -221.215017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.215017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.215017 (E_RNA) where: Base-Base interactions energy: -148.709 where: short stacking energy: -67.917 Base-Backbone interact. energy: -0.001 local terms energy: -72.504806 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -16.086 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -20.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -215.120137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.120137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.120137 (E_RNA) where: Base-Base interactions energy: -145.656 where: short stacking energy: -64.329 Base-Backbone interact. energy: -0.638 local terms energy: -68.826861 where: bonds (distance) C4'-P energy: -12.595 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -11.105 tors. eta vs tors. theta energy: -21.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -206.625726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.625726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.625726 (E_RNA) where: Base-Base interactions energy: -141.329 where: short stacking energy: -63.749 Base-Backbone interact. energy: -0.361 local terms energy: -64.935971 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -19.774 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: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -193.299095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.299095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.299095 (E_RNA) where: Base-Base interactions energy: -124.276 where: short stacking energy: -52.395 Base-Backbone interact. energy: -0.002 local terms energy: -69.020625 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -15.915 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -14.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -174.198716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.198716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.198716 (E_RNA) where: Base-Base interactions energy: -113.452 where: short stacking energy: -59.257 Base-Backbone interact. energy: -0.129 local terms energy: -60.617244 where: bonds (distance) C4'-P energy: -13.907 bonds (distance) P-C4' energy: -10.012 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -14.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -87.022071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.022071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.022071 (E_RNA) where: Base-Base interactions energy: -36.860 where: short stacking energy: -36.860 Base-Backbone interact. energy: 0.718 local terms energy: -50.879900 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -9.304 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -81.544235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.544235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.544235 (E_RNA) where: Base-Base interactions energy: -34.551 where: short stacking energy: -31.484 Base-Backbone interact. energy: -0.112 local terms energy: -46.880590 where: bonds (distance) C4'-P energy: -9.463 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -2.133 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: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -74.349067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.349067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.349067 (E_RNA) where: Base-Base interactions energy: -33.966 where: short stacking energy: -33.966 Base-Backbone interact. energy: -0.071 local terms energy: -40.312338 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -9.188 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -6.893 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: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -222.177861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.177861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.177861 (E_RNA) where: Base-Base interactions energy: -151.375 where: short stacking energy: -65.650 Base-Backbone interact. energy: -0.350 local terms energy: -70.451975 where: bonds (distance) C4'-P energy: -15.744 bonds (distance) P-C4' energy: -11.674 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -19.531 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: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -211.661235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.661235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.661235 (E_RNA) where: Base-Base interactions energy: -144.584 where: short stacking energy: -62.306 Base-Backbone interact. energy: 0.264 local terms energy: -67.341024 where: bonds (distance) C4'-P energy: -9.957 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -12.001 tors. eta vs tors. theta energy: -18.795 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: 141 Temperature: 1.000000 Total energy: -217.239132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.239132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.239132 (E_RNA) where: Base-Base interactions energy: -150.531 where: short stacking energy: -67.491 Base-Backbone interact. energy: -3.461 local terms energy: -63.246900 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -10.231 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: 4, replica: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -210.204153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.204153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.204153 (E_RNA) where: Base-Base interactions energy: -141.495 where: short stacking energy: -61.572 Base-Backbone interact. energy: -0.291 local terms energy: -68.418266 where: bonds (distance) C4'-P energy: -15.451 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -11.668 tors. eta vs tors. theta energy: -15.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -205.459462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.459462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.459462 (E_RNA) where: Base-Base interactions energy: -144.113 where: short stacking energy: -62.466 Base-Backbone interact. energy: -0.335 local terms energy: -61.011586 where: bonds (distance) C4'-P energy: -9.965 bonds (distance) P-C4' energy: -11.980 flat angles C4'-P-C4' energy: -9.579 flat angles P-C4'-P energy: -8.641 tors. eta vs tors. theta energy: -20.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -200.270246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.270246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.270246 (E_RNA) where: Base-Base interactions energy: -139.658 where: short stacking energy: -67.125 Base-Backbone interact. energy: -0.046 local terms energy: -60.565703 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -9.421 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -19.608 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: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -185.189367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.189367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.189367 (E_RNA) where: Base-Base interactions energy: -125.575 where: short stacking energy: -49.928 Base-Backbone interact. energy: -0.055 local terms energy: -59.560298 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -9.428 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -15.245 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: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -102.473027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.473027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.473027 (E_RNA) where: Base-Base interactions energy: -44.625 where: short stacking energy: -44.625 Base-Backbone interact. energy: -0.037 local terms energy: -57.810927 where: bonds (distance) C4'-P energy: -11.738 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -12.702 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -12.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -87.057807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.057807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.057807 (E_RNA) where: Base-Base interactions energy: -41.432 where: short stacking energy: -41.432 Base-Backbone interact. energy: -0.091 local terms energy: -45.535173 where: bonds (distance) C4'-P energy: -10.536 bonds (distance) P-C4' energy: -10.367 flat angles C4'-P-C4' energy: -9.569 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -7.316 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: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -69.929166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.929166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.929166 (E_RNA) where: Base-Base interactions energy: -24.325 where: short stacking energy: -24.325 Base-Backbone interact. energy: -0.044 local terms energy: -45.559830 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -9.291 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -227.185807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.185807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.185807 (E_RNA) where: Base-Base interactions energy: -151.111 where: short stacking energy: -66.868 Base-Backbone interact. energy: -0.003 local terms energy: -76.071726 where: bonds (distance) C4'-P energy: -16.345 bonds (distance) P-C4' energy: -14.104 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -12.300 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: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -212.830275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.830275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.830275 (E_RNA) where: Base-Base interactions energy: -144.261 where: short stacking energy: -63.700 Base-Backbone interact. energy: -0.012 local terms energy: -68.556403 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -10.771 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -12.470 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -219.076607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.076607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.076607 (E_RNA) where: Base-Base interactions energy: -149.503 where: short stacking energy: -62.349 Base-Backbone interact. energy: -0.015 local terms energy: -69.558725 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -10.385 tors. eta vs tors. theta energy: -19.334 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: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -212.882822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.882822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.882822 (E_RNA) where: Base-Base interactions energy: -135.186 where: short stacking energy: -60.404 Base-Backbone interact. energy: -0.111 local terms energy: -77.585135 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -15.719 flat angles P-C4'-P energy: -11.695 tors. eta vs tors. theta energy: -18.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -205.011745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.011745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.011745 (E_RNA) where: Base-Base interactions energy: -135.095 where: short stacking energy: -52.440 Base-Backbone interact. energy: -1.251 local terms energy: -68.666282 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -16.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -196.450540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.450540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.450540 (E_RNA) where: Base-Base interactions energy: -129.573 where: short stacking energy: -56.279 Base-Backbone interact. energy: -0.048 local terms energy: -66.829885 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -14.151 flat angles C4'-P-C4' energy: -16.193 flat angles P-C4'-P energy: -6.713 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: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -186.468395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.468395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.468395 (E_RNA) where: Base-Base interactions energy: -131.618 where: short stacking energy: -56.828 Base-Backbone interact. energy: -0.061 local terms energy: -54.789672 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -12.201 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -14.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -80.412579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.412579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.412579 (E_RNA) where: Base-Base interactions energy: -31.038 where: short stacking energy: -19.268 Base-Backbone interact. energy: 0.297 local terms energy: -49.671528 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -12.139 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -7.515 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -89.021463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.021463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.021463 (E_RNA) where: Base-Base interactions energy: -45.628 where: short stacking energy: -20.516 Base-Backbone interact. energy: -0.137 local terms energy: -43.256934 where: bonds (distance) C4'-P energy: -15.075 bonds (distance) P-C4' energy: -7.954 flat angles C4'-P-C4' energy: -15.357 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: 2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -81.823138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.823138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.823138 (E_RNA) where: Base-Base interactions energy: -33.170 where: short stacking energy: -30.613 Base-Backbone interact. energy: -0.089 local terms energy: -48.564543 where: bonds (distance) C4'-P energy: -10.697 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -8.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -222.788923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.788923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.788923 (E_RNA) where: Base-Base interactions energy: -144.650 where: short stacking energy: -65.131 Base-Backbone interact. energy: -2.649 local terms energy: -75.489746 where: bonds (distance) C4'-P energy: -10.379 bonds (distance) P-C4' energy: -15.918 flat angles C4'-P-C4' energy: -15.452 flat angles P-C4'-P energy: -13.064 tors. eta vs tors. theta energy: -20.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -225.035983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.035983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.035983 (E_RNA) where: Base-Base interactions energy: -150.319 where: short stacking energy: -68.150 Base-Backbone interact. energy: -0.045 local terms energy: -74.671689 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -10.247 tors. eta vs tors. theta energy: -19.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -210.163474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.163474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.163474 (E_RNA) where: Base-Base interactions energy: -140.461 where: short stacking energy: -61.371 Base-Backbone interact. energy: -0.042 local terms energy: -69.659809 where: bonds (distance) C4'-P energy: -13.613 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -18.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -212.988380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.988380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.988380 (E_RNA) where: Base-Base interactions energy: -145.089 where: short stacking energy: -72.761 Base-Backbone interact. energy: -0.631 local terms energy: -67.268769 where: bonds (distance) C4'-P energy: -9.714 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -9.861 tors. eta vs tors. theta energy: -21.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -204.218567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.218567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.218567 (E_RNA) where: Base-Base interactions energy: -141.241 where: short stacking energy: -60.969 Base-Backbone interact. energy: -0.259 local terms energy: -62.718321 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -14.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -195.551697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.551697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.551697 (E_RNA) where: Base-Base interactions energy: -129.570 where: short stacking energy: -57.806 Base-Backbone interact. energy: -0.452 local terms energy: -65.528790 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -12.829 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -15.844 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: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -195.431109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.431109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.431109 (E_RNA) where: Base-Base interactions energy: -131.414 where: short stacking energy: -63.289 Base-Backbone interact. energy: -0.007 local terms energy: -64.010596 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -9.639 tors. eta vs tors. theta energy: -14.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -83.593369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.593369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.593369 (E_RNA) where: Base-Base interactions energy: -31.718 where: short stacking energy: -31.718 Base-Backbone interact. energy: -0.107 local terms energy: -51.768693 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -78.412074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.412074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.412074 (E_RNA) where: Base-Base interactions energy: -31.065 where: short stacking energy: -25.635 Base-Backbone interact. energy: 0.578 local terms energy: -47.924928 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -11.748 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: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -77.196597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.196597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.196597 (E_RNA) where: Base-Base interactions energy: -39.119 where: short stacking energy: -14.790 Base-Backbone interact. energy: -0.138 local terms energy: -37.939569 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -12.181 flat angles C4'-P-C4' energy: -10.253 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: 4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -220.342620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.342620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.342620 (E_RNA) where: Base-Base interactions energy: -148.874 where: short stacking energy: -61.941 Base-Backbone interact. energy: -0.178 local terms energy: -71.290263 where: bonds (distance) C4'-P energy: -11.080 bonds (distance) P-C4' energy: -13.601 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -12.203 tors. eta vs tors. theta energy: -19.805 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: 2 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -221.275967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.275967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.275967 (E_RNA) where: Base-Base interactions energy: -148.391 where: short stacking energy: -68.564 Base-Backbone interact. energy: -0.212 local terms energy: -72.672669 where: bonds (distance) C4'-P energy: -15.397 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -20.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -213.112820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.112820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.112820 (E_RNA) where: Base-Base interactions energy: -144.453 where: short stacking energy: -58.743 Base-Backbone interact. energy: -0.082 local terms energy: -68.577136 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -11.412 tors. eta vs tors. theta energy: -18.680 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: 144 Temperature: 1.050000 Total energy: -211.459259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.459259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.459259 (E_RNA) where: Base-Base interactions energy: -144.854 where: short stacking energy: -62.896 Base-Backbone interact. energy: -0.101 local terms energy: -66.504186 where: bonds (distance) C4'-P energy: -8.975 bonds (distance) P-C4' energy: -16.080 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -6.350 tors. eta vs tors. theta energy: -19.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -188.124975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.124975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.124975 (E_RNA) where: Base-Base interactions energy: -131.658 where: short stacking energy: -60.586 Base-Backbone interact. energy: -0.018 local terms energy: -56.449326 where: bonds (distance) C4'-P energy: -7.290 bonds (distance) P-C4' energy: -15.627 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -14.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -195.883283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.883283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.883283 (E_RNA) where: Base-Base interactions energy: -129.096 where: short stacking energy: -53.636 Base-Backbone interact. energy: -1.234 local terms energy: -65.553794 where: bonds (distance) C4'-P energy: -10.173 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -12.906 tors. eta vs tors. theta energy: -14.530 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: 144 Temperature: 1.200000 Total energy: -188.391877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.391877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.391877 (E_RNA) where: Base-Base interactions energy: -127.358 where: short stacking energy: -56.890 Base-Backbone interact. energy: -0.122 local terms energy: -60.912407 where: bonds (distance) C4'-P energy: -9.359 bonds (distance) P-C4' energy: -11.032 flat angles C4'-P-C4' energy: -15.039 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -17.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -74.477136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.477136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.477136 (E_RNA) where: Base-Base interactions energy: -27.709 where: short stacking energy: -26.608 Base-Backbone interact. energy: -0.179 local terms energy: -46.588553 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -10.556 flat angles P-C4'-P energy: -8.485 tors. eta vs tors. theta energy: -1.216 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: 4 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -94.524696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.524696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.524696 (E_RNA) where: Base-Base interactions energy: -43.322 where: short stacking energy: -24.332 Base-Backbone interact. energy: -0.482 local terms energy: -50.720562 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -5.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -72.463225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.463225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.463225 (E_RNA) where: Base-Base interactions energy: -21.157 where: short stacking energy: -17.499 Base-Backbone interact. energy: 0.239 local terms energy: -51.545838 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -11.882 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -224.666869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.666869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.666869 (E_RNA) where: Base-Base interactions energy: -151.132 where: short stacking energy: -72.198 Base-Backbone interact. energy: -2.114 local terms energy: -71.421041 where: bonds (distance) C4'-P energy: -9.420 bonds (distance) P-C4' energy: -15.453 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -10.831 tors. eta vs tors. theta energy: -21.120 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: 145 Temperature: 0.950000 Total energy: -216.907978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.907978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.907978 (E_RNA) where: Base-Base interactions energy: -148.284 where: short stacking energy: -65.174 Base-Backbone interact. energy: -0.349 local terms energy: -68.274865 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -16.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -216.258214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.258214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.258214 (E_RNA) where: Base-Base interactions energy: -144.346 where: short stacking energy: -66.442 Base-Backbone interact. energy: -0.029 local terms energy: -71.883754 where: bonds (distance) C4'-P energy: -15.881 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -204.188220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.188220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.188220 (E_RNA) where: Base-Base interactions energy: -138.343 where: short stacking energy: -54.992 Base-Backbone interact. energy: -0.017 local terms energy: -65.829047 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -11.114 flat angles P-C4'-P energy: -8.198 tors. eta vs tors. theta energy: -15.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -190.558178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.558178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.558178 (E_RNA) where: Base-Base interactions energy: -126.076 where: short stacking energy: -58.299 Base-Backbone interact. energy: -0.006 local terms energy: -64.476002 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -15.090 flat angles P-C4'-P energy: -9.453 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: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -201.055005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.055005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.055005 (E_RNA) where: Base-Base interactions energy: -134.107 where: short stacking energy: -54.261 Base-Backbone interact. energy: -0.029 local terms energy: -66.918487 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -16.734 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -13.608 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: 145 Temperature: 1.200000 Total energy: -182.640734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.640734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.640734 (E_RNA) where: Base-Base interactions energy: -113.064 where: short stacking energy: -55.868 Base-Backbone interact. energy: 0.474 local terms energy: -70.050840 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -11.841 tors. eta vs tors. theta energy: -15.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -103.891934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.891934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.891934 (E_RNA) where: Base-Base interactions energy: -58.541 where: short stacking energy: -33.793 Base-Backbone interact. energy: -0.212 local terms energy: -45.139307 where: bonds (distance) C4'-P energy: -9.211 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -139.202485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.202485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.202485 (E_RNA) where: Base-Base interactions energy: -89.808 where: short stacking energy: -37.735 Base-Backbone interact. energy: -0.605 local terms energy: -48.789391 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -7.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -76.630175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.630175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.630175 (E_RNA) where: Base-Base interactions energy: -25.156 where: short stacking energy: -25.156 Base-Backbone interact. energy: -0.108 local terms energy: -51.366144 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -14.076 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -218.529648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.529648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.529648 (E_RNA) where: Base-Base interactions energy: -148.453 where: short stacking energy: -65.178 Base-Backbone interact. energy: -0.359 local terms energy: -69.718345 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -11.973 tors. eta vs tors. theta energy: -19.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -218.655586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.655586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.655586 (E_RNA) where: Base-Base interactions energy: -147.664 where: short stacking energy: -66.754 Base-Backbone interact. energy: 0.029 local terms energy: -71.020669 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -15.889 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -19.367 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: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -213.987251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.987251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.987251 (E_RNA) where: Base-Base interactions energy: -143.125 where: short stacking energy: -67.472 Base-Backbone interact. energy: -0.005 local terms energy: -70.857164 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -17.154 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -8.345 tors. eta vs tors. theta energy: -21.344 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: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -205.078531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.078531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.078531 (E_RNA) where: Base-Base interactions energy: -134.183 where: short stacking energy: -59.651 Base-Backbone interact. energy: -0.001 local terms energy: -70.894447 where: bonds (distance) C4'-P energy: -15.625 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -11.044 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -16.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -212.427417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.427417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.427417 (E_RNA) where: Base-Base interactions energy: -142.839 where: short stacking energy: -64.296 Base-Backbone interact. energy: 0.069 local terms energy: -69.657403 where: bonds (distance) C4'-P energy: -15.348 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -15.890 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -16.634 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: 6, replica: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -191.381109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.381109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.381109 (E_RNA) where: Base-Base interactions energy: -126.875 where: short stacking energy: -55.290 Base-Backbone interact. energy: -0.011 local terms energy: -64.494780 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -193.168463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.168463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.168463 (E_RNA) where: Base-Base interactions energy: -125.104 where: short stacking energy: -60.028 Base-Backbone interact. energy: -0.021 local terms energy: -68.043904 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -17.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -82.472788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.472788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.472788 (E_RNA) where: Base-Base interactions energy: -35.969 where: short stacking energy: -35.969 Base-Backbone interact. energy: -0.090 local terms energy: -46.414445 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -79.150830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.150830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.150830 (E_RNA) where: Base-Base interactions energy: -40.214 where: short stacking energy: -27.281 Base-Backbone interact. energy: 1.200 local terms energy: -40.136501 where: bonds (distance) C4'-P energy: -4.974 bonds (distance) P-C4' energy: -14.556 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -154.756211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.756211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.756211 (E_RNA) where: Base-Base interactions energy: -96.212 where: short stacking energy: -36.702 Base-Backbone interact. energy: -0.011 local terms energy: -58.533900 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -9.959 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -13.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -216.902373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.902373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.902373 (E_RNA) where: Base-Base interactions energy: -148.942 where: short stacking energy: -67.225 Base-Backbone interact. energy: -2.205 local terms energy: -65.754475 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -9.794 flat angles P-C4'-P energy: -11.072 tors. eta vs tors. theta energy: -17.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -218.457236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.457236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.457236 (E_RNA) where: Base-Base interactions energy: -147.088 where: short stacking energy: -70.076 Base-Backbone interact. energy: -0.030 local terms energy: -71.339148 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -16.329 flat angles P-C4'-P energy: -9.524 tors. eta vs tors. theta energy: -19.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -215.707562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.707562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.707562 (E_RNA) where: Base-Base interactions energy: -147.702 where: short stacking energy: -65.282 Base-Backbone interact. energy: -0.123 local terms energy: -67.882609 where: bonds (distance) C4'-P energy: -15.501 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -20.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -207.467696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.467696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.467696 (E_RNA) where: Base-Base interactions energy: -143.707 where: short stacking energy: -63.703 Base-Backbone interact. energy: -0.045 local terms energy: -63.716085 where: bonds (distance) C4'-P energy: -13.799 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -10.352 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -17.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -211.428649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.428649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.428649 (E_RNA) where: Base-Base interactions energy: -148.239 where: short stacking energy: -63.298 Base-Backbone interact. energy: -0.058 local terms energy: -63.130751 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -10.736 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -7.916 tors. eta vs tors. theta energy: -19.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -195.686725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.686725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.686725 (E_RNA) where: Base-Base interactions energy: -128.168 where: short stacking energy: -56.034 Base-Backbone interact. energy: -0.364 local terms energy: -67.154924 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -13.799 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -15.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -154.428222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.428222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.428222 (E_RNA) where: Base-Base interactions energy: -97.453 where: short stacking energy: -46.885 Base-Backbone interact. energy: -0.199 local terms energy: -56.776013 where: bonds (distance) C4'-P energy: -11.692 bonds (distance) P-C4' energy: -9.627 flat angles C4'-P-C4' energy: -12.136 flat angles P-C4'-P energy: -10.969 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: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -78.267516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.267516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.267516 (E_RNA) where: Base-Base interactions energy: -28.154 where: short stacking energy: -25.724 Base-Backbone interact. energy: -0.060 local terms energy: -50.052899 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -11.251 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -4.463 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: 4 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -73.473370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.473370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.473370 (E_RNA) where: Base-Base interactions energy: -28.307 where: short stacking energy: -28.307 Base-Backbone interact. energy: -0.223 local terms energy: -44.944166 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -16.664 flat angles P-C4'-P energy: 0.263 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -149.803828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.803828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.803828 (E_RNA) where: Base-Base interactions energy: -99.950 where: short stacking energy: -39.956 Base-Backbone interact. energy: -0.085 local terms energy: -49.768614 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -10.568 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -11.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -223.222572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.222572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.222572 (E_RNA) where: Base-Base interactions energy: -154.198 where: short stacking energy: -67.094 Base-Backbone interact. energy: 0.008 local terms energy: -69.033064 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -14.490 flat angles C4'-P-C4' energy: -15.662 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -16.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -220.676498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.676498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.676498 (E_RNA) where: Base-Base interactions energy: -148.656 where: short stacking energy: -66.795 Base-Backbone interact. energy: 0.198 local terms energy: -72.218722 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -12.418 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -13.573 tors. eta vs tors. theta energy: -18.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -211.924504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.924504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.924504 (E_RNA) where: Base-Base interactions energy: -142.177 where: short stacking energy: -60.595 Base-Backbone interact. energy: -0.599 local terms energy: -69.148608 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -14.749 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -211.144919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.144919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.144919 (E_RNA) where: Base-Base interactions energy: -143.659 where: short stacking energy: -62.760 Base-Backbone interact. energy: -0.078 local terms energy: -67.408339 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -14.045 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -20.173 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: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -207.552269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.552269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.552269 (E_RNA) where: Base-Base interactions energy: -145.260 where: short stacking energy: -65.494 Base-Backbone interact. energy: -0.702 local terms energy: -61.590228 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -12.459 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -18.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -164.649696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.649696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.649696 (E_RNA) where: Base-Base interactions energy: -113.748 where: short stacking energy: -49.808 Base-Backbone interact. energy: -0.037 local terms energy: -50.865021 where: bonds (distance) C4'-P energy: -10.299 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -10.359 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -14.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -166.618004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.618004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.618004 (E_RNA) where: Base-Base interactions energy: -104.411 where: short stacking energy: -51.310 Base-Backbone interact. energy: -0.640 local terms energy: -61.567390 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -14.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -85.217763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.217763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.217763 (E_RNA) where: Base-Base interactions energy: -33.305 where: short stacking energy: -33.305 Base-Backbone interact. energy: -0.246 local terms energy: -51.667523 where: bonds (distance) C4'-P energy: -12.337 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -7.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -182.495340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.495340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.495340 (E_RNA) where: Base-Base interactions energy: -127.382 where: short stacking energy: -52.983 Base-Backbone interact. energy: -0.108 local terms energy: -55.004614 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -8.980 flat angles C4'-P-C4' energy: -11.423 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -13.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -79.209028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.209028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.209028 (E_RNA) where: Base-Base interactions energy: -36.748 where: short stacking energy: -26.674 Base-Backbone interact. energy: -0.008 local terms energy: -42.452955 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -214.719238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.719238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.719238 (E_RNA) where: Base-Base interactions energy: -144.036 where: short stacking energy: -58.813 Base-Backbone interact. energy: -0.216 local terms energy: -70.466301 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -13.289 tors. eta vs tors. theta energy: -15.718 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: 149 Temperature: 0.950000 Total energy: -215.359092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.359092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.359092 (E_RNA) where: Base-Base interactions energy: -142.754 where: short stacking energy: -64.688 Base-Backbone interact. energy: -0.075 local terms energy: -72.530595 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -18.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -219.905358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.905358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.905358 (E_RNA) where: Base-Base interactions energy: -145.265 where: short stacking energy: -63.412 Base-Backbone interact. energy: -0.555 local terms energy: -74.084772 where: bonds (distance) C4'-P energy: -14.392 bonds (distance) P-C4' energy: -13.993 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -12.127 tors. eta vs tors. theta energy: -19.181 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: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -212.484643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.484643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.484643 (E_RNA) where: Base-Base interactions energy: -142.581 where: short stacking energy: -62.438 Base-Backbone interact. energy: -0.096 local terms energy: -69.807525 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -9.242 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: 5, replica: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -214.136862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.136862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.136862 (E_RNA) where: Base-Base interactions energy: -143.252 where: short stacking energy: -66.045 Base-Backbone interact. energy: -0.725 local terms energy: -70.159793 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -16.521 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -20.011 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: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -177.918468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.918468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.918468 (E_RNA) where: Base-Base interactions energy: -116.784 where: short stacking energy: -46.787 Base-Backbone interact. energy: -0.041 local terms energy: -61.093398 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -11.421 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: -14.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -182.998867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.998867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.998867 (E_RNA) where: Base-Base interactions energy: -125.043 where: short stacking energy: -56.114 Base-Backbone interact. energy: -0.148 local terms energy: -57.808149 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -8.608 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -16.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -200.910546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.910546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.910546 (E_RNA) where: Base-Base interactions energy: -135.716 where: short stacking energy: -57.767 Base-Backbone interact. energy: -0.092 local terms energy: -65.102636 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -17.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -77.189572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.189572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.189572 (E_RNA) where: Base-Base interactions energy: -33.030 where: short stacking energy: -33.030 Base-Backbone interact. energy: -0.037 local terms energy: -44.122186 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -11.197 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -71.813507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.813507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.813507 (E_RNA) where: Base-Base interactions energy: -24.183 where: short stacking energy: -21.813 Base-Backbone interact. energy: 1.365 local terms energy: -48.995112 where: bonds (distance) C4'-P energy: -10.239 bonds (distance) P-C4' energy: -13.960 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -217.936972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.936972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.936972 (E_RNA) where: Base-Base interactions energy: -143.856 where: short stacking energy: -60.620 Base-Backbone interact. energy: -0.003 local terms energy: -74.077967 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -12.153 tors. eta vs tors. theta energy: -17.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -217.756968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.756968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.756968 (E_RNA) where: Base-Base interactions energy: -148.371 where: short stacking energy: -65.411 Base-Backbone interact. energy: -0.021 local terms energy: -69.364313 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -14.249 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -10.259 tors. eta vs tors. theta energy: -16.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -214.756692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.756692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.756692 (E_RNA) where: Base-Base interactions energy: -143.270 where: short stacking energy: -63.572 Base-Backbone interact. energy: -0.042 local terms energy: -71.445195 where: bonds (distance) C4'-P energy: -13.029 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -10.995 tors. eta vs tors. theta energy: -18.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -203.068965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.068965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.068965 (E_RNA) where: Base-Base interactions energy: -137.013 where: short stacking energy: -61.777 Base-Backbone interact. energy: -0.324 local terms energy: -65.731143 where: bonds (distance) C4'-P energy: -8.958 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -14.914 flat angles P-C4'-P energy: -10.180 tors. eta vs tors. theta energy: -17.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -164.436995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.436995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.436995 (E_RNA) where: Base-Base interactions energy: -103.022 where: short stacking energy: -48.703 Base-Backbone interact. energy: -0.010 local terms energy: -61.405292 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -10.885 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -200.756396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.756396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.756396 (E_RNA) where: Base-Base interactions energy: -134.617 where: short stacking energy: -56.017 Base-Backbone interact. energy: -0.279 local terms energy: -65.860544 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -10.497 tors. eta vs tors. theta energy: -15.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -202.518478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.518478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.518478 (E_RNA) where: Base-Base interactions energy: -138.988 where: short stacking energy: -58.527 Base-Backbone interact. energy: -0.064 local terms energy: -63.466390 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -15.392 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -15.893 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: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -190.989081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.989081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.989081 (E_RNA) where: Base-Base interactions energy: -132.214 where: short stacking energy: -59.014 Base-Backbone interact. energy: -0.027 local terms energy: -58.748645 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -10.096 flat angles C4'-P-C4' energy: -12.811 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -19.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -81.942163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.942163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.942163 (E_RNA) where: Base-Base interactions energy: -31.698 where: short stacking energy: -30.491 Base-Backbone interact. energy: -0.167 local terms energy: -50.076394 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -15.604 flat angles C4'-P-C4' energy: -9.605 flat angles P-C4'-P energy: -7.384 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -70.255936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.255936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.255936 (E_RNA) where: Base-Base interactions energy: -24.018 where: short stacking energy: -21.276 Base-Backbone interact. energy: -0.025 local terms energy: -46.213322 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -219.644298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.644298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.644298 (E_RNA) where: Base-Base interactions energy: -151.539 where: short stacking energy: -69.736 Base-Backbone interact. energy: -1.754 local terms energy: -66.350933 where: bonds (distance) C4'-P energy: -11.298 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -18.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -222.282374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.282374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.282374 (E_RNA) where: Base-Base interactions energy: -152.460 where: short stacking energy: -70.469 Base-Backbone interact. energy: -0.002 local terms energy: -69.820246 where: bonds (distance) C4'-P energy: -15.580 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -19.508 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: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -220.336441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.336441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.336441 (E_RNA) where: Base-Base interactions energy: -149.295 where: short stacking energy: -62.461 Base-Backbone interact. energy: -0.002 local terms energy: -71.038907 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.480 flat angles P-C4'-P energy: -8.946 tors. eta vs tors. theta energy: -20.181 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -204.978095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.978095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.978095 (E_RNA) where: Base-Base interactions energy: -142.016 where: short stacking energy: -55.367 Base-Backbone interact. energy: -0.132 local terms energy: -62.829168 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -13.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -199.860044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.860044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.860044 (E_RNA) where: Base-Base interactions energy: -133.844 where: short stacking energy: -58.014 Base-Backbone interact. energy: -0.055 local terms energy: -65.961348 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -13.054 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -15.533 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: 151 Temperature: 1.150000 Total energy: -199.207336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.207336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.207336 (E_RNA) where: Base-Base interactions energy: -136.139 where: short stacking energy: -56.440 Base-Backbone interact. energy: -0.046 local terms energy: -63.021846 where: bonds (distance) C4'-P energy: -12.742 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -9.177 tors. eta vs tors. theta energy: -15.045 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: 7, replica: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -196.610237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.610237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.610237 (E_RNA) where: Base-Base interactions energy: -140.596 where: short stacking energy: -61.513 Base-Backbone interact. energy: -0.064 local terms energy: -55.950103 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -10.261 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -147.287875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.287875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.287875 (E_RNA) where: Base-Base interactions energy: -99.013 where: short stacking energy: -47.375 Base-Backbone interact. energy: -0.187 local terms energy: -48.088342 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -5.809 flat angles C4'-P-C4' energy: -10.897 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -10.777 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: 4 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -79.931713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.931713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.931713 (E_RNA) where: Base-Base interactions energy: -26.214 where: short stacking energy: -26.431 Base-Backbone interact. energy: -0.261 local terms energy: -53.456408 where: bonds (distance) C4'-P energy: -9.829 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -15.599 flat angles P-C4'-P energy: -11.315 tors. eta vs tors. theta energy: -4.332 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: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -81.903385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.903385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.903385 (E_RNA) where: Base-Base interactions energy: -33.826 where: short stacking energy: -17.343 Base-Backbone interact. energy: 0.721 local terms energy: -48.798249 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -223.571416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.571416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.571416 (E_RNA) where: Base-Base interactions energy: -153.126 where: short stacking energy: -65.674 Base-Backbone interact. energy: -2.014 local terms energy: -68.431297 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -15.863 flat angles P-C4'-P energy: -12.914 tors. eta vs tors. theta energy: -16.710 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: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -220.072805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.072805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.072805 (E_RNA) where: Base-Base interactions energy: -146.880 where: short stacking energy: -62.722 Base-Backbone interact. energy: -0.002 local terms energy: -73.191049 where: bonds (distance) C4'-P energy: -11.836 bonds (distance) P-C4' energy: -14.059 flat angles C4'-P-C4' energy: -15.774 flat angles P-C4'-P energy: -11.930 tors. eta vs tors. theta energy: -19.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -207.923660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.923660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.923660 (E_RNA) where: Base-Base interactions energy: -150.017 where: short stacking energy: -60.711 Base-Backbone interact. energy: -0.105 local terms energy: -57.801770 where: bonds (distance) C4'-P energy: -9.770 bonds (distance) P-C4' energy: -9.264 flat angles C4'-P-C4' energy: -13.181 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -13.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -206.271061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.271061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.271061 (E_RNA) where: Base-Base interactions energy: -144.023 where: short stacking energy: -65.492 Base-Backbone interact. energy: 0.408 local terms energy: -62.656368 where: bonds (distance) C4'-P energy: -9.676 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -7.591 tors. eta vs tors. theta energy: -17.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -206.298008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.298008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.298008 (E_RNA) where: Base-Base interactions energy: -142.696 where: short stacking energy: -62.317 Base-Backbone interact. energy: -0.043 local terms energy: -63.558745 where: bonds (distance) C4'-P energy: -10.624 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -17.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -194.826178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.826178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.826178 (E_RNA) where: Base-Base interactions energy: -127.361 where: short stacking energy: -59.844 Base-Backbone interact. energy: -0.018 local terms energy: -67.447247 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -18.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -198.185096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.185096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.185096 (E_RNA) where: Base-Base interactions energy: -132.401 where: short stacking energy: -59.444 Base-Backbone interact. energy: -0.180 local terms energy: -65.604241 where: bonds (distance) C4'-P energy: -9.253 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -17.351 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: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -182.830625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.830625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.830625 (E_RNA) where: Base-Base interactions energy: -118.769 where: short stacking energy: -59.777 Base-Backbone interact. energy: -0.034 local terms energy: -64.027681 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -7.244 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: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -80.080665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.080665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.080665 (E_RNA) where: Base-Base interactions energy: -33.523 where: short stacking energy: -29.175 Base-Backbone interact. energy: -0.244 local terms energy: -46.313665 where: bonds (distance) C4'-P energy: -14.093 bonds (distance) P-C4' energy: -14.683 flat angles C4'-P-C4' energy: -10.683 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -4.564 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: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -82.467342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.467342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.467342 (E_RNA) where: Base-Base interactions energy: -34.483 where: short stacking energy: -34.483 Base-Backbone interact. energy: -0.035 local terms energy: -47.949305 where: bonds (distance) C4'-P energy: -9.145 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -222.703096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.703096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.703096 (E_RNA) where: Base-Base interactions energy: -146.393 where: short stacking energy: -62.896 Base-Backbone interact. energy: -0.335 local terms energy: -75.974852 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -13.632 flat angles C4'-P-C4' energy: -16.909 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -19.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -210.005711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.005711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.005711 (E_RNA) where: Base-Base interactions energy: -150.668 where: short stacking energy: -59.374 Base-Backbone interact. energy: -0.065 local terms energy: -59.273119 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -11.002 flat angles C4'-P-C4' energy: -12.811 flat angles P-C4'-P energy: -9.422 tors. eta vs tors. theta energy: -12.127 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: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -214.136128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.136128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.136128 (E_RNA) where: Base-Base interactions energy: -145.733 where: short stacking energy: -65.590 Base-Backbone interact. energy: -0.587 local terms energy: -67.816631 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -208.541047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.541047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.541047 (E_RNA) where: Base-Base interactions energy: -140.186 where: short stacking energy: -54.910 Base-Backbone interact. energy: -0.116 local terms energy: -68.239854 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -14.726 flat angles C4'-P-C4' energy: -10.869 flat angles P-C4'-P energy: -10.809 tors. eta vs tors. theta energy: -16.812 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: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -211.664878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.664878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.664878 (E_RNA) where: Base-Base interactions energy: -145.543 where: short stacking energy: -63.702 Base-Backbone interact. energy: 0.028 local terms energy: -66.150187 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -16.159 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -18.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -201.565627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.565627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.565627 (E_RNA) where: Base-Base interactions energy: -138.305 where: short stacking energy: -61.853 Base-Backbone interact. energy: -0.012 local terms energy: -63.248126 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -14.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -166.754426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.754426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.754426 (E_RNA) where: Base-Base interactions energy: -114.558 where: short stacking energy: -50.021 Base-Backbone interact. energy: -0.056 local terms energy: -52.139812 where: bonds (distance) C4'-P energy: -11.903 bonds (distance) P-C4' energy: -8.935 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -12.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -180.627936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.627936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.627936 (E_RNA) where: Base-Base interactions energy: -122.544 where: short stacking energy: -52.251 Base-Backbone interact. energy: -0.360 local terms energy: -57.724457 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -11.918 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -7.070 tors. eta vs tors. theta energy: -16.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -77.345833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.345833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.345833 (E_RNA) where: Base-Base interactions energy: -30.562 where: short stacking energy: -29.006 Base-Backbone interact. energy: -0.427 local terms energy: -46.356130 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -9.247 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -75.277263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.277263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.277263 (E_RNA) where: Base-Base interactions energy: -26.849 where: short stacking energy: -26.849 Base-Backbone interact. energy: -0.042 local terms energy: -48.386081 where: bonds (distance) C4'-P energy: -13.245 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -12.006 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -215.959389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.959389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.959389 (E_RNA) where: Base-Base interactions energy: -150.336 where: short stacking energy: -60.814 Base-Backbone interact. energy: -0.497 local terms energy: -65.125441 where: bonds (distance) C4'-P energy: -10.470 bonds (distance) P-C4' energy: -15.588 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -10.515 tors. eta vs tors. theta energy: -15.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -217.174194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.174194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.174194 (E_RNA) where: Base-Base interactions energy: -146.253 where: short stacking energy: -61.249 Base-Backbone interact. energy: -0.211 local terms energy: -70.709901 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -17.522 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: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -216.619964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.619964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.619964 (E_RNA) where: Base-Base interactions energy: -145.336 where: short stacking energy: -62.601 Base-Backbone interact. energy: -0.710 local terms energy: -70.573381 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -12.798 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -17.336 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: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -214.090500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.090500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.090500 (E_RNA) where: Base-Base interactions energy: -144.421 where: short stacking energy: -64.034 Base-Backbone interact. energy: -0.311 local terms energy: -69.358781 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -18.341 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: 154 Temperature: 1.100000 Total energy: -205.217344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.217344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.217344 (E_RNA) where: Base-Base interactions energy: -137.264 where: short stacking energy: -59.251 Base-Backbone interact. energy: -0.242 local terms energy: -67.711146 where: bonds (distance) C4'-P energy: -13.715 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -16.834 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: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -205.898443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.898443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.898443 (E_RNA) where: Base-Base interactions energy: -141.757 where: short stacking energy: -59.516 Base-Backbone interact. energy: -0.008 local terms energy: -64.133365 where: bonds (distance) C4'-P energy: -15.256 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -11.696 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -17.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -188.734897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.734897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.734897 (E_RNA) where: Base-Base interactions energy: -132.014 where: short stacking energy: -54.934 Base-Backbone interact. energy: -0.045 local terms energy: -56.675642 where: bonds (distance) C4'-P energy: -10.907 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -13.542 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: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -143.370684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.370684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.370684 (E_RNA) where: Base-Base interactions energy: -82.045 where: short stacking energy: -41.216 Base-Backbone interact. energy: -0.650 local terms energy: -60.675807 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -13.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -79.100814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.100814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.100814 (E_RNA) where: Base-Base interactions energy: -35.464 where: short stacking energy: -31.735 Base-Backbone interact. energy: -0.192 local terms energy: -43.445189 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.253 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: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -93.433785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.433785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.433785 (E_RNA) where: Base-Base interactions energy: -41.400 where: short stacking energy: -36.304 Base-Backbone interact. energy: -0.519 local terms energy: -51.514348 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -9.382 flat angles C4'-P-C4' energy: -15.966 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -8.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -215.228883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.228883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.228883 (E_RNA) where: Base-Base interactions energy: -151.713 where: short stacking energy: -61.881 Base-Backbone interact. energy: -0.097 local terms energy: -63.418284 where: bonds (distance) C4'-P energy: -10.297 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -15.677 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -13.328 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: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -217.533364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.533364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.533364 (E_RNA) where: Base-Base interactions energy: -148.693 where: short stacking energy: -63.359 Base-Backbone interact. energy: -0.548 local terms energy: -68.292266 where: bonds (distance) C4'-P energy: -10.429 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -17.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -219.503111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.503111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.503111 (E_RNA) where: Base-Base interactions energy: -148.492 where: short stacking energy: -70.656 Base-Backbone interact. energy: -1.481 local terms energy: -69.529634 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -19.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -207.738201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.738201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.738201 (E_RNA) where: Base-Base interactions energy: -144.287 where: short stacking energy: -61.147 Base-Backbone interact. energy: -0.588 local terms energy: -62.863096 where: bonds (distance) C4'-P energy: -14.816 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -16.264 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: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -210.786775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.786775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.786775 (E_RNA) where: Base-Base interactions energy: -138.931 where: short stacking energy: -61.943 Base-Backbone interact. energy: -0.161 local terms energy: -71.694646 where: bonds (distance) C4'-P energy: -14.151 bonds (distance) P-C4' energy: -13.967 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -10.821 tors. eta vs tors. theta energy: -18.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -203.257868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.257868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.257868 (E_RNA) where: Base-Base interactions energy: -134.836 where: short stacking energy: -55.240 Base-Backbone interact. energy: -0.306 local terms energy: -68.115755 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -15.697 flat angles P-C4'-P energy: -9.086 tors. eta vs tors. theta energy: -16.360 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: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -188.117676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.117676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.117676 (E_RNA) where: Base-Base interactions energy: -127.777 where: short stacking energy: -61.241 Base-Backbone interact. energy: -0.057 local terms energy: -60.283294 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -10.110 flat angles C4'-P-C4' energy: -15.450 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -17.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -142.983182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.983182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.983182 (E_RNA) where: Base-Base interactions energy: -81.190 where: short stacking energy: -36.815 Base-Backbone interact. energy: -0.814 local terms energy: -60.979394 where: bonds (distance) C4'-P energy: -15.471 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -73.287926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.287926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.287926 (E_RNA) where: Base-Base interactions energy: -25.540 where: short stacking energy: -25.540 Base-Backbone interact. energy: -0.171 local terms energy: -47.576886 where: bonds (distance) C4'-P energy: -11.025 bonds (distance) P-C4' energy: -9.400 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -8.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -76.858189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.858189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.858189 (E_RNA) where: Base-Base interactions energy: -31.382 where: short stacking energy: -27.036 Base-Backbone interact. energy: 1.035 local terms energy: -46.511953 where: bonds (distance) C4'-P energy: -11.651 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: 1.309 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: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -217.579553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.579553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.579553 (E_RNA) where: Base-Base interactions energy: -151.219 where: short stacking energy: -65.810 Base-Backbone interact. energy: -0.050 local terms energy: -66.310014 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -16.198 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -222.654127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.654127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.654127 (E_RNA) where: Base-Base interactions energy: -154.185 where: short stacking energy: -64.902 Base-Backbone interact. energy: -0.557 local terms energy: -67.911833 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -16.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -214.668970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.668970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.668970 (E_RNA) where: Base-Base interactions energy: -140.990 where: short stacking energy: -58.807 Base-Backbone interact. energy: -0.101 local terms energy: -73.578144 where: bonds (distance) C4'-P energy: -15.884 bonds (distance) P-C4' energy: -15.685 flat angles C4'-P-C4' energy: -16.872 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -16.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -206.689740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.689740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.689740 (E_RNA) where: Base-Base interactions energy: -136.346 where: short stacking energy: -60.073 Base-Backbone interact. energy: -0.005 local terms energy: -70.339310 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -19.097 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: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -200.988198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.988198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.988198 (E_RNA) where: Base-Base interactions energy: -135.292 where: short stacking energy: -55.651 Base-Backbone interact. energy: -0.040 local terms energy: -65.656233 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -13.799 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -17.181 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: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -200.615669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.615669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.615669 (E_RNA) where: Base-Base interactions energy: -135.154 where: short stacking energy: -56.821 Base-Backbone interact. energy: -0.048 local terms energy: -65.413662 where: bonds (distance) C4'-P energy: -8.699 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -17.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -184.980230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.980230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.980230 (E_RNA) where: Base-Base interactions energy: -119.986 where: short stacking energy: -54.666 Base-Backbone interact. energy: -0.006 local terms energy: -64.988252 where: bonds (distance) C4'-P energy: -11.498 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -17.770 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: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -143.684077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.684077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.684077 (E_RNA) where: Base-Base interactions energy: -84.128 where: short stacking energy: -42.270 Base-Backbone interact. energy: -0.018 local terms energy: -59.538762 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -13.015 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -11.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -72.114888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.114888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.114888 (E_RNA) where: Base-Base interactions energy: -22.663 where: short stacking energy: -22.663 Base-Backbone interact. energy: -0.202 local terms energy: -49.249029 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -10.213 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -80.888616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.888616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.888616 (E_RNA) where: Base-Base interactions energy: -34.735 where: short stacking energy: -34.735 Base-Backbone interact. energy: -0.013 local terms energy: -46.140797 where: bonds (distance) C4'-P energy: -10.603 bonds (distance) P-C4' energy: -9.128 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -3.642 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: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -213.353339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.353339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.353339 (E_RNA) where: Base-Base interactions energy: -143.022 where: short stacking energy: -64.142 Base-Backbone interact. energy: -0.153 local terms energy: -70.179134 where: bonds (distance) C4'-P energy: -15.268 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -18.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -218.362222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.362222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.362222 (E_RNA) where: Base-Base interactions energy: -148.088 where: short stacking energy: -63.092 Base-Backbone interact. energy: -0.002 local terms energy: -70.271995 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -16.331 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -16.803 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: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -210.583880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.583880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.583880 (E_RNA) where: Base-Base interactions energy: -147.597 where: short stacking energy: -67.475 Base-Backbone interact. energy: -1.222 local terms energy: -61.765451 where: bonds (distance) C4'-P energy: -9.063 bonds (distance) P-C4' energy: -13.611 flat angles C4'-P-C4' energy: -11.294 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -18.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -205.061686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.061686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.061686 (E_RNA) where: Base-Base interactions energy: -136.047 where: short stacking energy: -56.094 Base-Backbone interact. energy: -0.054 local terms energy: -68.960562 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -16.212 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: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -196.581362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.581362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.581362 (E_RNA) where: Base-Base interactions energy: -131.038 where: short stacking energy: -52.114 Base-Backbone interact. energy: -0.013 local terms energy: -65.530445 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -15.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -192.601013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.601013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.601013 (E_RNA) where: Base-Base interactions energy: -123.912 where: short stacking energy: -58.293 Base-Backbone interact. energy: -0.056 local terms energy: -68.633151 where: bonds (distance) C4'-P energy: -13.641 bonds (distance) P-C4' energy: -10.581 flat angles C4'-P-C4' energy: -16.373 flat angles P-C4'-P energy: -10.936 tors. eta vs tors. theta energy: -17.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -200.748876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.748876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.748876 (E_RNA) where: Base-Base interactions energy: -136.254 where: short stacking energy: -57.784 Base-Backbone interact. energy: 0.690 local terms energy: -65.185493 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -12.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -166.250837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.250837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.250837 (E_RNA) where: Base-Base interactions energy: -117.662 where: short stacking energy: -58.876 Base-Backbone interact. energy: -0.351 local terms energy: -48.237952 where: bonds (distance) C4'-P energy: -8.044 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -14.076 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: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -69.346938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.346938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.346938 (E_RNA) where: Base-Base interactions energy: -19.589 where: short stacking energy: -14.951 Base-Backbone interact. energy: -0.362 local terms energy: -49.396017 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -9.015 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -68.096762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.096762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.096762 (E_RNA) where: Base-Base interactions energy: -26.235 where: short stacking energy: -26.235 Base-Backbone interact. energy: -0.214 local terms energy: -41.647381 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -14.043 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -1.981 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: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -218.885648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.885648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.885648 (E_RNA) where: Base-Base interactions energy: -145.456 where: short stacking energy: -62.452 Base-Backbone interact. energy: -0.011 local terms energy: -73.417919 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -20.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -219.334035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.334035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.334035 (E_RNA) where: Base-Base interactions energy: -143.836 where: short stacking energy: -63.958 Base-Backbone interact. energy: -0.684 local terms energy: -74.814815 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -11.741 tors. eta vs tors. theta energy: -18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -208.952748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.952748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.952748 (E_RNA) where: Base-Base interactions energy: -145.226 where: short stacking energy: -61.379 Base-Backbone interact. energy: -0.001 local terms energy: -63.725608 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -10.309 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -12.067 tors. eta vs tors. theta energy: -18.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -210.271992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.271992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.271992 (E_RNA) where: Base-Base interactions energy: -147.774 where: short stacking energy: -70.107 Base-Backbone interact. energy: -0.065 local terms energy: -62.432446 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -197.488821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.488821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.488821 (E_RNA) where: Base-Base interactions energy: -134.422 where: short stacking energy: -60.248 Base-Backbone interact. energy: -0.017 local terms energy: -63.050557 where: bonds (distance) C4'-P energy: -8.707 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -14.760 flat angles P-C4'-P energy: -7.764 tors. eta vs tors. theta energy: -19.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -209.163217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.163217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.163217 (E_RNA) where: Base-Base interactions energy: -149.289 where: short stacking energy: -63.312 Base-Backbone interact. energy: -0.023 local terms energy: -59.850770 where: bonds (distance) C4'-P energy: -5.966 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -11.028 tors. eta vs tors. theta energy: -18.368 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: 7, replica: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -187.472520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.472520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.472520 (E_RNA) where: Base-Base interactions energy: -120.172 where: short stacking energy: -51.365 Base-Backbone interact. energy: -0.002 local terms energy: -67.298499 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -16.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -197.494542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.494542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.494542 (E_RNA) where: Base-Base interactions energy: -133.287 where: short stacking energy: -55.167 Base-Backbone interact. energy: -0.170 local terms energy: -64.038116 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -15.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -85.575415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.575415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.575415 (E_RNA) where: Base-Base interactions energy: -39.461 where: short stacking energy: -25.947 Base-Backbone interact. energy: -0.418 local terms energy: -45.695907 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -61.888787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.888787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.888787 (E_RNA) where: Base-Base interactions energy: -27.801 where: short stacking energy: -24.876 Base-Backbone interact. energy: 0.725 local terms energy: -34.812784 where: bonds (distance) C4'-P energy: -8.022 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -221.779153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.779153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.779153 (E_RNA) where: Base-Base interactions energy: -149.258 where: short stacking energy: -63.253 Base-Backbone interact. energy: -0.317 local terms energy: -72.204455 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -16.046 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -11.122 tors. eta vs tors. theta energy: -16.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -218.336937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.336937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.336937 (E_RNA) where: Base-Base interactions energy: -150.175 where: short stacking energy: -65.404 Base-Backbone interact. energy: -0.040 local terms energy: -68.121520 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -12.097 tors. eta vs tors. theta energy: -18.215 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: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -216.431271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.431271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.431271 (E_RNA) where: Base-Base interactions energy: -147.348 where: short stacking energy: -60.359 Base-Backbone interact. energy: -0.847 local terms energy: -68.236280 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -10.446 tors. eta vs tors. theta energy: -19.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -212.399412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.399412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.399412 (E_RNA) where: Base-Base interactions energy: -143.472 where: short stacking energy: -61.674 Base-Backbone interact. energy: -0.021 local terms energy: -68.906691 where: bonds (distance) C4'-P energy: -12.856 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -11.055 tors. eta vs tors. theta energy: -17.130 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: 5, replica: 9 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -198.494737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.494737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.494737 (E_RNA) where: Base-Base interactions energy: -133.749 where: short stacking energy: -60.033 Base-Backbone interact. energy: -0.001 local terms energy: -64.744094 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -11.097 flat angles C4'-P-C4' energy: -14.346 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -15.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -195.733926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.733926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.733926 (E_RNA) where: Base-Base interactions energy: -131.361 where: short stacking energy: -59.373 Base-Backbone interact. energy: -1.109 local terms energy: -63.263895 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -12.167 flat angles C4'-P-C4' energy: -12.083 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -16.722 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: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -196.381774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.381774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.381774 (E_RNA) where: Base-Base interactions energy: -133.444 where: short stacking energy: -53.104 Base-Backbone interact. energy: -0.132 local terms energy: -62.806531 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -10.683 flat angles P-C4'-P energy: -10.957 tors. eta vs tors. theta energy: -14.840 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: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -192.219605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.219605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.219605 (E_RNA) where: Base-Base interactions energy: -132.536 where: short stacking energy: -56.398 Base-Backbone interact. energy: -0.116 local terms energy: -59.567246 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -17.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -69.132482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.132482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.132482 (E_RNA) where: Base-Base interactions energy: -27.984 where: short stacking energy: -23.882 Base-Backbone interact. energy: -0.137 local terms energy: -41.011409 where: bonds (distance) C4'-P energy: -11.016 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -11.152 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: 5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -69.628012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.628012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.628012 (E_RNA) where: Base-Base interactions energy: -31.011 where: short stacking energy: -27.502 Base-Backbone interact. energy: 0.542 local terms energy: -39.158767 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: 1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -221.776146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.776146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.776146 (E_RNA) where: Base-Base interactions energy: -153.806 where: short stacking energy: -68.273 Base-Backbone interact. energy: -0.010 local terms energy: -67.960376 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -18.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -223.866473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.866473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.866473 (E_RNA) where: Base-Base interactions energy: -152.096 where: short stacking energy: -66.841 Base-Backbone interact. energy: -0.688 local terms energy: -71.082450 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -9.676 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -11.451 tors. eta vs tors. theta energy: -20.402 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: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -216.839871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.839871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.839871 (E_RNA) where: Base-Base interactions energy: -149.707 where: short stacking energy: -66.001 Base-Backbone interact. energy: -0.071 local terms energy: -67.061775 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -10.947 flat angles P-C4'-P energy: -11.474 tors. eta vs tors. theta energy: -19.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -218.043603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.043603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.043603 (E_RNA) where: Base-Base interactions energy: -149.897 where: short stacking energy: -67.888 Base-Backbone interact. energy: -0.077 local terms energy: -68.068719 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -9.388 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -10.700 tors. eta vs tors. theta energy: -18.985 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: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -196.643178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.643178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.643178 (E_RNA) where: Base-Base interactions energy: -134.834 where: short stacking energy: -61.407 Base-Backbone interact. energy: -0.003 local terms energy: -61.805534 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -11.201 flat angles C4'-P-C4' energy: -10.714 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -19.960 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: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -198.947646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.947646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.947646 (E_RNA) where: Base-Base interactions energy: -137.159 where: short stacking energy: -60.380 Base-Backbone interact. energy: -0.006 local terms energy: -61.782621 where: bonds (distance) C4'-P energy: -11.533 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -15.912 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: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -196.125375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.125375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.125375 (E_RNA) where: Base-Base interactions energy: -134.006 where: short stacking energy: -58.563 Base-Backbone interact. energy: -0.003 local terms energy: -62.115857 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -10.971 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -10.596 tors. eta vs tors. theta energy: -16.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -196.839673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.839673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.839673 (E_RNA) where: Base-Base interactions energy: -138.498 where: short stacking energy: -61.967 Base-Backbone interact. energy: 0.073 local terms energy: -58.414726 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -14.896 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -16.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -75.239778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.239778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.239778 (E_RNA) where: Base-Base interactions energy: -28.468 where: short stacking energy: -24.097 Base-Backbone interact. energy: 0.218 local terms energy: -46.988996 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -10.878 flat angles P-C4'-P energy: -8.903 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: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -75.964213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.964213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.964213 (E_RNA) where: Base-Base interactions energy: -28.211 where: short stacking energy: -28.211 Base-Backbone interact. energy: -0.094 local terms energy: -47.659435 where: bonds (distance) C4'-P energy: -16.328 bonds (distance) P-C4' energy: -10.234 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -219.992604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.992604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.992604 (E_RNA) where: Base-Base interactions energy: -153.192 where: short stacking energy: -68.220 Base-Backbone interact. energy: -2.471 local terms energy: -64.329536 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -9.886 flat angles P-C4'-P energy: -9.783 tors. eta vs tors. theta energy: -17.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -217.521992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.521992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.521992 (E_RNA) where: Base-Base interactions energy: -148.487 where: short stacking energy: -67.124 Base-Backbone interact. energy: 0.105 local terms energy: -69.139166 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -15.446 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -19.034 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: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -214.785343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.785343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.785343 (E_RNA) where: Base-Base interactions energy: -150.513 where: short stacking energy: -69.919 Base-Backbone interact. energy: -0.192 local terms energy: -64.080073 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: -16.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -199.325900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.325900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.325900 (E_RNA) where: Base-Base interactions energy: -129.510 where: short stacking energy: -58.220 Base-Backbone interact. energy: -0.042 local terms energy: -69.773398 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -16.563 flat angles C4'-P-C4' energy: -12.382 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -16.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -209.551533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.551533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.551533 (E_RNA) where: Base-Base interactions energy: -140.099 where: short stacking energy: -65.084 Base-Backbone interact. energy: -0.010 local terms energy: -69.441947 where: bonds (distance) C4'-P energy: -15.542 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -18.188 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: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -205.428566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.428566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.428566 (E_RNA) where: Base-Base interactions energy: -147.079 where: short stacking energy: -66.380 Base-Backbone interact. energy: -0.299 local terms energy: -58.051292 where: bonds (distance) C4'-P energy: -4.927 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -19.201 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: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -182.149403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.149403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.149403 (E_RNA) where: Base-Base interactions energy: -122.857 where: short stacking energy: -55.569 Base-Backbone interact. energy: -0.191 local terms energy: -59.101353 where: bonds (distance) C4'-P energy: -7.784 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -14.118 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: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -201.585795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.585795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.585795 (E_RNA) where: Base-Base interactions energy: -135.422 where: short stacking energy: -57.164 Base-Backbone interact. energy: -0.185 local terms energy: -65.978827 where: bonds (distance) C4'-P energy: -11.105 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -15.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -79.268755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.268755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.268755 (E_RNA) where: Base-Base interactions energy: -35.350 where: short stacking energy: -25.185 Base-Backbone interact. energy: -0.115 local terms energy: -43.804440 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -9.183 flat angles C4'-P-C4' energy: -9.936 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -2.107 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: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -77.130775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.130775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.130775 (E_RNA) where: Base-Base interactions energy: -38.138 where: short stacking energy: -18.364 Base-Backbone interact. energy: -0.937 local terms energy: -38.056068 where: bonds (distance) C4'-P energy: -9.849 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: 1.226 tors. eta vs tors. theta energy: -2.457 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: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -219.082147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.082147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.082147 (E_RNA) where: Base-Base interactions energy: -148.731 where: short stacking energy: -60.508 Base-Backbone interact. energy: -0.474 local terms energy: -69.877728 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -13.724 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -17.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -213.652804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.652804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.652804 (E_RNA) where: Base-Base interactions energy: -148.164 where: short stacking energy: -65.318 Base-Backbone interact. energy: -0.308 local terms energy: -65.180660 where: bonds (distance) C4'-P energy: -8.925 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -8.578 tors. eta vs tors. theta energy: -20.141 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: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -211.491144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.491144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.491144 (E_RNA) where: Base-Base interactions energy: -143.611 where: short stacking energy: -65.468 Base-Backbone interact. energy: -0.035 local terms energy: -67.845401 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -18.327 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: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -207.279060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.279060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.279060 (E_RNA) where: Base-Base interactions energy: -143.266 where: short stacking energy: -56.462 Base-Backbone interact. energy: -0.104 local terms energy: -63.908960 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -10.129 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -16.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -212.354262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.354262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.354262 (E_RNA) where: Base-Base interactions energy: -145.780 where: short stacking energy: -62.704 Base-Backbone interact. energy: -0.629 local terms energy: -65.945292 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -19.619 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: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -209.570382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.570382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.570382 (E_RNA) where: Base-Base interactions energy: -146.102 where: short stacking energy: -67.705 Base-Backbone interact. energy: -0.001 local terms energy: -63.466557 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -12.485 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -19.393 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: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -187.450704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.450704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.450704 (E_RNA) where: Base-Base interactions energy: -133.602 where: short stacking energy: -54.372 Base-Backbone interact. energy: -0.171 local terms energy: -53.677963 where: bonds (distance) C4'-P energy: -10.066 bonds (distance) P-C4' energy: -10.752 flat angles C4'-P-C4' energy: -9.488 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -12.400 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: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -178.457739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.457739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.457739 (E_RNA) where: Base-Base interactions energy: -120.711 where: short stacking energy: -55.266 Base-Backbone interact. energy: -0.230 local terms energy: -57.515888 where: bonds (distance) C4'-P energy: -10.681 bonds (distance) P-C4' energy: -12.706 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -12.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -76.589547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.589547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.589547 (E_RNA) where: Base-Base interactions energy: -31.307 where: short stacking energy: -31.307 Base-Backbone interact. energy: 0.146 local terms energy: -45.429235 where: bonds (distance) C4'-P energy: -13.534 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -15.073 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: 0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -78.169719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.169719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.169719 (E_RNA) where: Base-Base interactions energy: -32.054 where: short stacking energy: -32.054 Base-Backbone interact. energy: -1.323 local terms energy: -44.792478 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -8.371 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -10.887 tors. eta vs tors. theta energy: -4.603 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: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -211.708264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.708264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.708264 (E_RNA) where: Base-Base interactions energy: -145.020 where: short stacking energy: -60.274 Base-Backbone interact. energy: -0.081 local terms energy: -66.607372 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -12.522 flat angles C4'-P-C4' energy: -16.093 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -13.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -208.071804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.071804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.071804 (E_RNA) where: Base-Base interactions energy: -136.179 where: short stacking energy: -63.038 Base-Backbone interact. energy: -0.010 local terms energy: -71.882826 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -10.987 tors. eta vs tors. theta energy: -19.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -212.988657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.988657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.988657 (E_RNA) where: Base-Base interactions energy: -141.917 where: short stacking energy: -61.991 Base-Backbone interact. energy: 1.106 local terms energy: -72.177589 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -15.531 flat angles P-C4'-P energy: -12.605 tors. eta vs tors. theta energy: -18.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -199.177663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.177663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.177663 (E_RNA) where: Base-Base interactions energy: -138.087 where: short stacking energy: -59.647 Base-Backbone interact. energy: -0.084 local terms energy: -61.006709 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -11.878 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -14.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -203.769015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.769015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.769015 (E_RNA) where: Base-Base interactions energy: -141.010 where: short stacking energy: -61.968 Base-Backbone interact. energy: -0.311 local terms energy: -62.447890 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -11.620 flat angles P-C4'-P energy: -10.659 tors. eta vs tors. theta energy: -16.043 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: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -204.834664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.834664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.834664 (E_RNA) where: Base-Base interactions energy: -134.599 where: short stacking energy: -53.465 Base-Backbone interact. energy: -0.013 local terms energy: -70.223395 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -18.790 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: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -197.839260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.839260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.839260 (E_RNA) where: Base-Base interactions energy: -139.629 where: short stacking energy: -57.203 Base-Backbone interact. energy: -0.101 local terms energy: -58.108995 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -9.532 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -14.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -82.242213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.242213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.242213 (E_RNA) where: Base-Base interactions energy: -37.191 where: short stacking energy: -32.792 Base-Backbone interact. energy: -0.170 local terms energy: -44.880906 where: bonds (distance) C4'-P energy: -9.257 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -10.369 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -6.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -132.459628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.459628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.459628 (E_RNA) where: Base-Base interactions energy: -85.112 where: short stacking energy: -39.738 Base-Backbone interact. energy: -0.466 local terms energy: -46.881090 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -7.915 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -78.102792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.102792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.102792 (E_RNA) where: Base-Base interactions energy: -27.733 where: short stacking energy: -28.033 Base-Backbone interact. energy: -0.120 local terms energy: -50.250018 where: bonds (distance) C4'-P energy: -14.914 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -11.072 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -212.852436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.852436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.852436 (E_RNA) where: Base-Base interactions energy: -138.590 where: short stacking energy: -67.316 Base-Backbone interact. energy: -0.046 local terms energy: -74.216653 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -15.428 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -18.234 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: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -222.180760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.180760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.180760 (E_RNA) where: Base-Base interactions energy: -148.920 where: short stacking energy: -67.122 Base-Backbone interact. energy: -0.789 local terms energy: -72.471534 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -12.937 tors. eta vs tors. theta energy: -18.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -208.194905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.194905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.194905 (E_RNA) where: Base-Base interactions energy: -145.759 where: short stacking energy: -63.415 Base-Backbone interact. energy: -2.550 local terms energy: -59.885570 where: bonds (distance) C4'-P energy: -11.129 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -14.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -214.584596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.584596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.584596 (E_RNA) where: Base-Base interactions energy: -146.850 where: short stacking energy: -64.528 Base-Backbone interact. energy: -0.180 local terms energy: -67.554325 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -17.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -203.663850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.663850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.663850 (E_RNA) where: Base-Base interactions energy: -148.982 where: short stacking energy: -58.659 Base-Backbone interact. energy: -0.071 local terms energy: -54.611505 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -11.210 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: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -202.806630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.806630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.806630 (E_RNA) where: Base-Base interactions energy: -140.212 where: short stacking energy: -59.577 Base-Backbone interact. energy: -0.099 local terms energy: -62.495243 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -17.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -203.119377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.119377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.119377 (E_RNA) where: Base-Base interactions energy: -143.334 where: short stacking energy: -57.609 Base-Backbone interact. energy: -0.298 local terms energy: -59.487597 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -11.043 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -13.816 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: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -79.616723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.616723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.616723 (E_RNA) where: Base-Base interactions energy: -36.064 where: short stacking energy: -25.317 Base-Backbone interact. energy: -0.293 local terms energy: -43.259160 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -110.109813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.109813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.109813 (E_RNA) where: Base-Base interactions energy: -66.841 where: short stacking energy: -34.512 Base-Backbone interact. energy: 0.751 local terms energy: -44.019698 where: bonds (distance) C4'-P energy: -11.770 bonds (distance) P-C4' energy: -12.301 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -3.302 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: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -68.587897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.587897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.587897 (E_RNA) where: Base-Base interactions energy: -20.931 where: short stacking energy: -20.931 Base-Backbone interact. energy: -0.250 local terms energy: -47.407354 where: bonds (distance) C4'-P energy: -11.183 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -10.603 tors. eta vs tors. theta energy: 1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -207.538130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.538130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.538130 (E_RNA) where: Base-Base interactions energy: -137.806 where: short stacking energy: -57.904 Base-Backbone interact. energy: -0.022 local terms energy: -69.710951 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -17.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -216.111853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.111853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.111853 (E_RNA) where: Base-Base interactions energy: -150.470 where: short stacking energy: -62.270 Base-Backbone interact. energy: -0.009 local terms energy: -65.633598 where: bonds (distance) C4'-P energy: -10.194 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -16.150 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -14.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -213.337310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.337310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.337310 (E_RNA) where: Base-Base interactions energy: -148.123 where: short stacking energy: -66.593 Base-Backbone interact. energy: -0.575 local terms energy: -64.639760 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -20.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -205.155808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.155808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.155808 (E_RNA) where: Base-Base interactions energy: -138.877 where: short stacking energy: -55.639 Base-Backbone interact. energy: -0.410 local terms energy: -65.868856 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -17.153 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -15.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -204.798376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.798376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.798376 (E_RNA) where: Base-Base interactions energy: -141.821 where: short stacking energy: -57.805 Base-Backbone interact. energy: -0.012 local terms energy: -62.964947 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -13.520 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -17.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -205.150609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.150609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.150609 (E_RNA) where: Base-Base interactions energy: -135.058 where: short stacking energy: -57.135 Base-Backbone interact. energy: 1.516 local terms energy: -71.608897 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -18.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -191.041472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.041472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.041472 (E_RNA) where: Base-Base interactions energy: -129.854 where: short stacking energy: -61.313 Base-Backbone interact. energy: -0.274 local terms energy: -60.912741 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -16.570 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: 165 Temperature: 1.250000 Total energy: -83.990192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.990192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.990192 (E_RNA) where: Base-Base interactions energy: -36.262 where: short stacking energy: -28.839 Base-Backbone interact. energy: -0.916 local terms energy: -46.812095 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -11.764 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: 1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -72.865276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.865276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.865276 (E_RNA) where: Base-Base interactions energy: -29.703 where: short stacking energy: -28.869 Base-Backbone interact. energy: -0.070 local terms energy: -43.091656 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -10.091 flat angles C4'-P-C4' energy: -12.088 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -74.679834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.679834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.679834 (E_RNA) where: Base-Base interactions energy: -26.019 where: short stacking energy: -22.170 Base-Backbone interact. energy: -0.581 local terms energy: -48.079610 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -16.122 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -1.940 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -225.690074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.690074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.690074 (E_RNA) where: Base-Base interactions energy: -146.000 where: short stacking energy: -65.838 Base-Backbone interact. energy: 0.019 local terms energy: -79.708337 where: bonds (distance) C4'-P energy: -15.815 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -13.771 tors. eta vs tors. theta energy: -20.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -208.754082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.754082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.754082 (E_RNA) where: Base-Base interactions energy: -133.149 where: short stacking energy: -61.201 Base-Backbone interact. energy: 0.301 local terms energy: -75.906950 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -17.205 flat angles P-C4'-P energy: -11.571 tors. eta vs tors. theta energy: -19.473 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: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -214.709999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.709999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.709999 (E_RNA) where: Base-Base interactions energy: -145.750 where: short stacking energy: -61.842 Base-Backbone interact. energy: -0.001 local terms energy: -68.958127 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -18.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -215.092375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.092375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.092375 (E_RNA) where: Base-Base interactions energy: -147.141 where: short stacking energy: -64.176 Base-Backbone interact. energy: -0.053 local terms energy: -67.898728 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -14.229 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -10.329 tors. eta vs tors. theta energy: -18.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -215.773500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.773500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.773500 (E_RNA) where: Base-Base interactions energy: -144.628 where: short stacking energy: -66.628 Base-Backbone interact. energy: -1.762 local terms energy: -69.383814 where: bonds (distance) C4'-P energy: -14.301 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -12.295 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -18.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -204.621837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.621837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.621837 (E_RNA) where: Base-Base interactions energy: -142.949 where: short stacking energy: -62.231 Base-Backbone interact. energy: -0.014 local terms energy: -61.658976 where: bonds (distance) C4'-P energy: -7.705 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -19.454 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: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -199.196368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.196368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.196368 (E_RNA) where: Base-Base interactions energy: -137.862 where: short stacking energy: -53.860 Base-Backbone interact. energy: -0.288 local terms energy: -61.047231 where: bonds (distance) C4'-P energy: -8.066 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -9.597 tors. eta vs tors. theta energy: -11.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -81.159889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.159889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.159889 (E_RNA) where: Base-Base interactions energy: -36.666 where: short stacking energy: -30.088 Base-Backbone interact. energy: -0.007 local terms energy: -44.487223 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: 0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -74.123062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.123062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.123062 (E_RNA) where: Base-Base interactions energy: -29.119 where: short stacking energy: -28.284 Base-Backbone interact. energy: -0.040 local terms energy: -44.964256 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -10.282 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -70.855422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.855422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.855422 (E_RNA) where: Base-Base interactions energy: -25.728 where: short stacking energy: -25.728 Base-Backbone interact. energy: -0.089 local terms energy: -45.038550 where: bonds (distance) C4'-P energy: -12.117 bonds (distance) P-C4' energy: -10.261 flat angles C4'-P-C4' energy: -17.551 flat angles P-C4'-P energy: -1.917 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -224.630803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.630803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.630803 (E_RNA) where: Base-Base interactions energy: -153.308 where: short stacking energy: -63.451 Base-Backbone interact. energy: -0.042 local terms energy: -71.280079 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -14.444 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -20.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -224.050673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.050673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.050673 (E_RNA) where: Base-Base interactions energy: -153.439 where: short stacking energy: -68.980 Base-Backbone interact. energy: -2.551 local terms energy: -68.060729 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -19.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -207.673534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.673534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.673534 (E_RNA) where: Base-Base interactions energy: -136.792 where: short stacking energy: -58.476 Base-Backbone interact. energy: -0.246 local terms energy: -70.635911 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -16.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -203.645980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.645980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.645980 (E_RNA) where: Base-Base interactions energy: -141.049 where: short stacking energy: -59.503 Base-Backbone interact. energy: -0.198 local terms energy: -62.398169 where: bonds (distance) C4'-P energy: -10.346 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -11.417 flat angles P-C4'-P energy: -12.682 tors. eta vs tors. theta energy: -15.565 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: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -204.639131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.639131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.639131 (E_RNA) where: Base-Base interactions energy: -136.637 where: short stacking energy: -55.368 Base-Backbone interact. energy: -0.025 local terms energy: -67.977246 where: bonds (distance) C4'-P energy: -15.939 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -205.546952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.546952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.546952 (E_RNA) where: Base-Base interactions energy: -138.353 where: short stacking energy: -61.060 Base-Backbone interact. energy: 0.509 local terms energy: -67.703502 where: bonds (distance) C4'-P energy: -9.865 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -16.450 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -18.120 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: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -204.097279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.097279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.097279 (E_RNA) where: Base-Base interactions energy: -133.524 where: short stacking energy: -56.999 Base-Backbone interact. energy: -0.187 local terms energy: -70.386933 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -19.348 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: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -93.880649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.880649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.880649 (E_RNA) where: Base-Base interactions energy: -42.107 where: short stacking energy: -32.894 Base-Backbone interact. energy: -0.102 local terms energy: -51.671602 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -9.278 flat angles P-C4'-P energy: -11.925 tors. eta vs tors. theta energy: -8.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -80.771545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.771545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.771545 (E_RNA) where: Base-Base interactions energy: -40.202 where: short stacking energy: -33.139 Base-Backbone interact. energy: -0.751 local terms energy: -39.818954 where: bonds (distance) C4'-P energy: -8.134 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -79.497833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.497833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.497833 (E_RNA) where: Base-Base interactions energy: -39.040 where: short stacking energy: -26.822 Base-Backbone interact. energy: 1.047 local terms energy: -41.504127 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -12.049 flat angles C4'-P-C4' energy: -9.188 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: -0.944 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: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -220.814568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.814568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.814568 (E_RNA) where: Base-Base interactions energy: -149.415 where: short stacking energy: -65.595 Base-Backbone interact. energy: -0.029 local terms energy: -71.369795 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -10.142 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -20.826 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: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -219.604030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.604030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.604030 (E_RNA) where: Base-Base interactions energy: -149.387 where: short stacking energy: -65.335 Base-Backbone interact. energy: -0.127 local terms energy: -70.089944 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -15.201 flat angles P-C4'-P energy: -10.497 tors. eta vs tors. theta energy: -20.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -212.962479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.962479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.962479 (E_RNA) where: Base-Base interactions energy: -146.979 where: short stacking energy: -67.594 Base-Backbone interact. energy: 0.102 local terms energy: -66.085433 where: bonds (distance) C4'-P energy: -10.351 bonds (distance) P-C4' energy: -10.040 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -12.220 tors. eta vs tors. theta energy: -20.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -210.285282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.285282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.285282 (E_RNA) where: Base-Base interactions energy: -140.271 where: short stacking energy: -65.844 Base-Backbone interact. energy: -0.001 local terms energy: -70.013818 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -15.628 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -19.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -211.728657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.728657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.728657 (E_RNA) where: Base-Base interactions energy: -141.050 where: short stacking energy: -57.286 Base-Backbone interact. energy: -0.072 local terms energy: -70.606697 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -17.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -199.356541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.356541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.356541 (E_RNA) where: Base-Base interactions energy: -136.042 where: short stacking energy: -55.994 Base-Backbone interact. energy: -0.002 local terms energy: -63.312778 where: bonds (distance) C4'-P energy: -9.899 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -11.815 flat angles P-C4'-P energy: -12.637 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: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -189.159283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.159283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.159283 (E_RNA) where: Base-Base interactions energy: -127.253 where: short stacking energy: -44.437 Base-Backbone interact. energy: -0.175 local terms energy: -61.731285 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -9.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -151.015362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.015362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.015362 (E_RNA) where: Base-Base interactions energy: -103.429 where: short stacking energy: -45.220 Base-Backbone interact. energy: -0.563 local terms energy: -47.023147 where: bonds (distance) C4'-P energy: -10.665 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -0.949 tors. eta vs tors. theta energy: -8.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -83.848753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.848753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.848753 (E_RNA) where: Base-Base interactions energy: -32.873 where: short stacking energy: -32.873 Base-Backbone interact. energy: -0.078 local terms energy: -50.897800 where: bonds (distance) C4'-P energy: -10.557 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -72.227528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.227528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.227528 (E_RNA) where: Base-Base interactions energy: -26.431 where: short stacking energy: -25.839 Base-Backbone interact. energy: -0.181 local terms energy: -45.615993 where: bonds (distance) C4'-P energy: -6.426 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -10.614 flat angles P-C4'-P energy: -12.173 tors. eta vs tors. theta energy: -2.765 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: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -225.743767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.743767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.743767 (E_RNA) where: Base-Base interactions energy: -149.859 where: short stacking energy: -68.971 Base-Backbone interact. energy: -2.354 local terms energy: -73.531568 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -21.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -217.665202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.665202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.665202 (E_RNA) where: Base-Base interactions energy: -149.830 where: short stacking energy: -67.041 Base-Backbone interact. energy: -0.006 local terms energy: -67.829259 where: bonds (distance) C4'-P energy: -6.804 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: -21.524 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: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -210.858395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.858395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.858395 (E_RNA) where: Base-Base interactions energy: -137.521 where: short stacking energy: -60.676 Base-Backbone interact. energy: -0.009 local terms energy: -73.328885 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -15.824 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -12.030 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: 4, replica: 1 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -200.479546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.479546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.479546 (E_RNA) where: Base-Base interactions energy: -134.303 where: short stacking energy: -60.952 Base-Backbone interact. energy: -0.054 local terms energy: -66.122756 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -11.641 tors. eta vs tors. theta energy: -16.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -204.583484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.583484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.583484 (E_RNA) where: Base-Base interactions energy: -135.562 where: short stacking energy: -62.024 Base-Backbone interact. energy: -1.862 local terms energy: -67.159533 where: bonds (distance) C4'-P energy: -11.610 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -8.730 tors. eta vs tors. theta energy: -19.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -207.285661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.285661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.285661 (E_RNA) where: Base-Base interactions energy: -137.600 where: short stacking energy: -59.494 Base-Backbone interact. energy: -0.002 local terms energy: -69.683108 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -16.407 flat angles P-C4'-P energy: -7.278 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: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -200.880957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.880957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.880957 (E_RNA) where: Base-Base interactions energy: -136.729 where: short stacking energy: -57.740 Base-Backbone interact. energy: -0.009 local terms energy: -64.143217 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -15.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -128.926351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.926351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.926351 (E_RNA) where: Base-Base interactions energy: -85.858 where: short stacking energy: -27.926 Base-Backbone interact. energy: -0.165 local terms energy: -42.904015 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -76.643556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.643556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.643556 (E_RNA) where: Base-Base interactions energy: -36.992 where: short stacking energy: -28.098 Base-Backbone interact. energy: -0.061 local terms energy: -39.591506 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -4.932 flat angles C4'-P-C4' energy: -9.822 flat angles P-C4'-P energy: -8.825 tors. eta vs tors. theta energy: -4.925 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: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -76.081168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.081168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.081168 (E_RNA) where: Base-Base interactions energy: -32.146 where: short stacking energy: -32.146 Base-Backbone interact. energy: -0.047 local terms energy: -43.888059 where: bonds (distance) C4'-P energy: -9.979 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -221.407701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.407701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.407701 (E_RNA) where: Base-Base interactions energy: -147.634 where: short stacking energy: -64.479 Base-Backbone interact. energy: -0.761 local terms energy: -73.012951 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -16.228 flat angles P-C4'-P energy: -11.161 tors. eta vs tors. theta energy: -18.978 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: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -217.005229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.005229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.005229 (E_RNA) where: Base-Base interactions energy: -146.568 where: short stacking energy: -66.136 Base-Backbone interact. energy: -0.211 local terms energy: -70.226398 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -10.364 tors. eta vs tors. theta energy: -15.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -209.266897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.266897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.266897 (E_RNA) where: Base-Base interactions energy: -145.636 where: short stacking energy: -62.824 Base-Backbone interact. energy: -0.724 local terms energy: -62.907024 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -17.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -205.099175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.099175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.099175 (E_RNA) where: Base-Base interactions energy: -134.840 where: short stacking energy: -59.620 Base-Backbone interact. energy: -0.004 local terms energy: -70.254910 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -11.541 tors. eta vs tors. theta energy: -18.297 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: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -204.597175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.597175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.597175 (E_RNA) where: Base-Base interactions energy: -139.969 where: short stacking energy: -60.150 Base-Backbone interact. energy: -0.414 local terms energy: -64.214726 where: bonds (distance) C4'-P energy: -14.610 bonds (distance) P-C4' energy: -10.876 flat angles C4'-P-C4' energy: -11.921 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -15.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -209.663212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.663212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.663212 (E_RNA) where: Base-Base interactions energy: -143.670 where: short stacking energy: -60.842 Base-Backbone interact. energy: -0.106 local terms energy: -65.886985 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -12.560 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -202.980050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.980050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.980050 (E_RNA) where: Base-Base interactions energy: -137.359 where: short stacking energy: -56.892 Base-Backbone interact. energy: -0.709 local terms energy: -64.912061 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -10.930 flat angles C4'-P-C4' energy: -13.883 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -17.639 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: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -127.391372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.391372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.391372 (E_RNA) where: Base-Base interactions energy: -76.953 where: short stacking energy: -44.541 Base-Backbone interact. energy: -0.003 local terms energy: -50.435773 where: bonds (distance) C4'-P energy: -7.022 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -11.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -74.273793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.273793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.273793 (E_RNA) where: Base-Base interactions energy: -23.208 where: short stacking energy: -23.208 Base-Backbone interact. energy: -0.202 local terms energy: -50.863252 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -12.089 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -84.489517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.489517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.489517 (E_RNA) where: Base-Base interactions energy: -44.293 where: short stacking energy: -38.134 Base-Backbone interact. energy: -0.055 local terms energy: -40.141998 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -9.043 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -224.289599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.289599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.289599 (E_RNA) where: Base-Base interactions energy: -153.102 where: short stacking energy: -70.930 Base-Backbone interact. energy: -0.128 local terms energy: -71.059972 where: bonds (distance) C4'-P energy: -13.448 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -21.382 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: 2, replica: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -222.919550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.919550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.919550 (E_RNA) where: Base-Base interactions energy: -150.225 where: short stacking energy: -63.522 Base-Backbone interact. energy: -1.182 local terms energy: -71.512452 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -16.294 flat angles C4'-P-C4' energy: -14.760 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -18.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -220.346663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.346663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.346663 (E_RNA) where: Base-Base interactions energy: -153.023 where: short stacking energy: -68.492 Base-Backbone interact. energy: -0.007 local terms energy: -67.316779 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -15.008 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -18.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -213.089452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.089452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.089452 (E_RNA) where: Base-Base interactions energy: -149.591 where: short stacking energy: -64.960 Base-Backbone interact. energy: -0.609 local terms energy: -62.889450 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -11.738 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -19.570 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: 5, replica: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -195.262190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.262190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.262190 (E_RNA) where: Base-Base interactions energy: -128.570 where: short stacking energy: -57.973 Base-Backbone interact. energy: -0.649 local terms energy: -66.043090 where: bonds (distance) C4'-P energy: -15.248 bonds (distance) P-C4' energy: -8.721 flat angles C4'-P-C4' energy: -12.829 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -19.655 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: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -201.174306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.174306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.174306 (E_RNA) where: Base-Base interactions energy: -138.299 where: short stacking energy: -60.378 Base-Backbone interact. energy: -0.042 local terms energy: -62.834149 where: bonds (distance) C4'-P energy: -12.876 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -7.566 tors. eta vs tors. theta energy: -14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -189.311910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.311910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.311910 (E_RNA) where: Base-Base interactions energy: -127.169 where: short stacking energy: -46.852 Base-Backbone interact. energy: -0.123 local terms energy: -62.019618 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -9.896 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: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -74.345520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.345520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.345520 (E_RNA) where: Base-Base interactions energy: -29.445 where: short stacking energy: -21.362 Base-Backbone interact. energy: -0.249 local terms energy: -44.650912 where: bonds (distance) C4'-P energy: -13.649 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: 0.919 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: 10 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -116.999965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.999965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.999965 (E_RNA) where: Base-Base interactions energy: -64.818 where: short stacking energy: -35.479 Base-Backbone interact. energy: -0.013 local terms energy: -52.168650 where: bonds (distance) C4'-P energy: -11.452 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -72.748681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.748681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.748681 (E_RNA) where: Base-Base interactions energy: -29.254 where: short stacking energy: -29.254 Base-Backbone interact. energy: -0.030 local terms energy: -43.464915 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -12.251 flat angles C4'-P-C4' energy: -9.699 flat angles P-C4'-P energy: -8.157 tors. eta vs tors. theta energy: -7.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -226.520640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.520640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.520640 (E_RNA) where: Base-Base interactions energy: -150.121 where: short stacking energy: -66.219 Base-Backbone interact. energy: -0.011 local terms energy: -76.389233 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -12.305 tors. eta vs tors. theta energy: -20.124 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: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -220.569057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.569057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.569057 (E_RNA) where: Base-Base interactions energy: -147.904 where: short stacking energy: -68.370 Base-Backbone interact. energy: -0.007 local terms energy: -72.657646 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -16.766 flat angles P-C4'-P energy: -9.509 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: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -212.417761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.417761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.417761 (E_RNA) where: Base-Base interactions energy: -141.548 where: short stacking energy: -65.061 Base-Backbone interact. energy: -0.588 local terms energy: -70.282117 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -10.360 tors. eta vs tors. theta energy: -20.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -214.395992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.395992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.395992 (E_RNA) where: Base-Base interactions energy: -149.705 where: short stacking energy: -69.109 Base-Backbone interact. energy: -0.021 local terms energy: -64.670238 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -9.307 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -19.943 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: 2 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -205.801625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.801625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.801625 (E_RNA) where: Base-Base interactions energy: -142.992 where: short stacking energy: -59.997 Base-Backbone interact. energy: 0.118 local terms energy: -62.927125 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -14.896 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: 172 Temperature: 1.150000 Total energy: -181.659794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.659794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.659794 (E_RNA) where: Base-Base interactions energy: -126.326 where: short stacking energy: -54.201 Base-Backbone interact. energy: -0.114 local terms energy: -55.219713 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -12.238 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -13.635 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: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -200.842790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.842790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.842790 (E_RNA) where: Base-Base interactions energy: -135.721 where: short stacking energy: -60.488 Base-Backbone interact. energy: -0.030 local terms energy: -65.091397 where: bonds (distance) C4'-P energy: -14.879 bonds (distance) P-C4' energy: -11.231 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -18.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -77.968219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.968219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.968219 (E_RNA) where: Base-Base interactions energy: -27.745 where: short stacking energy: -23.076 Base-Backbone interact. energy: -0.198 local terms energy: -50.025481 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -112.613618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.613618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.613618 (E_RNA) where: Base-Base interactions energy: -58.080 where: short stacking energy: -28.181 Base-Backbone interact. energy: -0.202 local terms energy: -54.331276 where: bonds (distance) C4'-P energy: -12.523 bonds (distance) P-C4' energy: -13.785 flat angles C4'-P-C4' energy: -12.649 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -7.332 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: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -82.337669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.337669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.337669 (E_RNA) where: Base-Base interactions energy: -29.458 where: short stacking energy: -27.328 Base-Backbone interact. energy: -0.136 local terms energy: -52.743517 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -6.313 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: 173 Temperature: 0.900000 Total energy: -219.059162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.059162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.059162 (E_RNA) where: Base-Base interactions energy: -146.336 where: short stacking energy: -63.525 Base-Backbone interact. energy: -0.584 local terms energy: -72.138852 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: -19.526 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: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -216.093649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.093649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.093649 (E_RNA) where: Base-Base interactions energy: -149.420 where: short stacking energy: -65.787 Base-Backbone interact. energy: 0.641 local terms energy: -67.314541 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -11.771 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -10.303 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: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -211.829084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.829084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.829084 (E_RNA) where: Base-Base interactions energy: -147.453 where: short stacking energy: -61.228 Base-Backbone interact. energy: -0.148 local terms energy: -64.227846 where: bonds (distance) C4'-P energy: -8.177 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -11.593 tors. eta vs tors. theta energy: -16.726 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: 173 Temperature: 1.050000 Total energy: -217.094281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.094281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.094281 (E_RNA) where: Base-Base interactions energy: -146.234 where: short stacking energy: -65.150 Base-Backbone interact. energy: -0.002 local terms energy: -70.858174 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -19.435 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: 173 Temperature: 1.100000 Total energy: -204.712416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.712416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.712416 (E_RNA) where: Base-Base interactions energy: -142.923 where: short stacking energy: -62.380 Base-Backbone interact. energy: -0.001 local terms energy: -61.788299 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -9.381 tors. eta vs tors. theta energy: -16.818 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: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -202.669148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.669148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.669148 (E_RNA) where: Base-Base interactions energy: -137.514 where: short stacking energy: -60.149 Base-Backbone interact. energy: -0.340 local terms energy: -64.814708 where: bonds (distance) C4'-P energy: -12.056 bonds (distance) P-C4' energy: -13.041 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -18.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -189.276176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.276176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.276176 (E_RNA) where: Base-Base interactions energy: -127.571 where: short stacking energy: -59.683 Base-Backbone interact. energy: -0.108 local terms energy: -61.596985 where: bonds (distance) C4'-P energy: -9.257 bonds (distance) P-C4' energy: -10.535 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -20.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -149.857332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.857332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.857332 (E_RNA) where: Base-Base interactions energy: -102.148 where: short stacking energy: -46.863 Base-Backbone interact. energy: 0.756 local terms energy: -48.465214 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -8.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -79.297208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.297208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.297208 (E_RNA) where: Base-Base interactions energy: -32.028 where: short stacking energy: -30.061 Base-Backbone interact. energy: -0.344 local terms energy: -46.926024 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -6.977 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -73.256050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.256050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.256050 (E_RNA) where: Base-Base interactions energy: -27.604 where: short stacking energy: -27.290 Base-Backbone interact. energy: -0.002 local terms energy: -45.649920 where: bonds (distance) C4'-P energy: -8.471 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -8.285 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: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -212.763342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.763342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.763342 (E_RNA) where: Base-Base interactions energy: -145.994 where: short stacking energy: -65.845 Base-Backbone interact. energy: -0.502 local terms energy: -66.267364 where: bonds (distance) C4'-P energy: -14.855 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -17.038 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: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -220.177314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.177314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.177314 (E_RNA) where: Base-Base interactions energy: -151.355 where: short stacking energy: -65.228 Base-Backbone interact. energy: -0.942 local terms energy: -67.879718 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -11.412 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -18.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -215.550371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.550371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.550371 (E_RNA) where: Base-Base interactions energy: -144.642 where: short stacking energy: -63.481 Base-Backbone interact. energy: -0.281 local terms energy: -70.627210 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -20.010 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: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -211.663612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.663612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.663612 (E_RNA) where: Base-Base interactions energy: -142.008 where: short stacking energy: -59.204 Base-Backbone interact. energy: -0.048 local terms energy: -69.607704 where: bonds (distance) C4'-P energy: -10.424 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -16.756 flat angles P-C4'-P energy: -10.395 tors. eta vs tors. theta energy: -16.098 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: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -207.244338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.244338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.244338 (E_RNA) where: Base-Base interactions energy: -142.813 where: short stacking energy: -66.961 Base-Backbone interact. energy: -0.469 local terms energy: -63.962714 where: bonds (distance) C4'-P energy: -10.959 bonds (distance) P-C4' energy: -9.725 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -10.280 tors. eta vs tors. theta energy: -18.887 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: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -208.941166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.941166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.941166 (E_RNA) where: Base-Base interactions energy: -143.113 where: short stacking energy: -59.563 Base-Backbone interact. energy: -0.215 local terms energy: -65.613060 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -8.552 flat angles C4'-P-C4' energy: -13.037 flat angles P-C4'-P energy: -12.918 tors. eta vs tors. theta energy: -16.545 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: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -191.895654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.895654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.895654 (E_RNA) where: Base-Base interactions energy: -128.265 where: short stacking energy: -58.537 Base-Backbone interact. energy: -0.301 local terms energy: -63.328757 where: bonds (distance) C4'-P energy: -9.431 bonds (distance) P-C4' energy: -14.969 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -16.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -154.815652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.815652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.815652 (E_RNA) where: Base-Base interactions energy: -102.537 where: short stacking energy: -45.591 Base-Backbone interact. energy: -1.092 local terms energy: -51.186758 where: bonds (distance) C4'-P energy: -9.481 bonds (distance) P-C4' energy: -13.668 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -8.431 tors. eta vs tors. theta energy: -8.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -76.711292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.711292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.711292 (E_RNA) where: Base-Base interactions energy: -34.288 where: short stacking energy: -14.408 Base-Backbone interact. energy: 0.210 local terms energy: -42.633375 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -11.854 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: 1.117 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: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -76.341243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.341243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.341243 (E_RNA) where: Base-Base interactions energy: -28.025 where: short stacking energy: -26.538 Base-Backbone interact. energy: -0.361 local terms energy: -47.954777 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -10.011 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -9.356 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: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -219.932475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.932475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.932475 (E_RNA) where: Base-Base interactions energy: -149.926 where: short stacking energy: -62.384 Base-Backbone interact. energy: -0.058 local terms energy: -69.949108 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -15.960 flat angles P-C4'-P energy: -11.067 tors. eta vs tors. theta energy: -17.514 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: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -222.581824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.581824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.581824 (E_RNA) where: Base-Base interactions energy: -152.054 where: short stacking energy: -69.114 Base-Backbone interact. energy: 0.022 local terms energy: -70.550230 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -18.689 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: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -222.564337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.564337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.564337 (E_RNA) where: Base-Base interactions energy: -149.037 where: short stacking energy: -63.454 Base-Backbone interact. energy: -0.054 local terms energy: -73.472630 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -12.068 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: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -217.270016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.270016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.270016 (E_RNA) where: Base-Base interactions energy: -150.608 where: short stacking energy: -70.129 Base-Backbone interact. energy: -0.033 local terms energy: -66.628467 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -10.625 flat angles C4'-P-C4' energy: -11.405 flat angles P-C4'-P energy: -11.933 tors. eta vs tors. theta energy: -18.213 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: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -211.372564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.372564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.372564 (E_RNA) where: Base-Base interactions energy: -143.189 where: short stacking energy: -62.763 Base-Backbone interact. energy: -0.728 local terms energy: -67.455357 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -15.545 flat angles C4'-P-C4' energy: -15.921 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -15.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -193.879703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.879703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.879703 (E_RNA) where: Base-Base interactions energy: -126.466 where: short stacking energy: -54.991 Base-Backbone interact. energy: -0.116 local terms energy: -67.297761 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -13.692 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: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -199.871693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.871693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.871693 (E_RNA) where: Base-Base interactions energy: -136.018 where: short stacking energy: -61.924 Base-Backbone interact. energy: -0.089 local terms energy: -63.764074 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -15.675 flat angles C4'-P-C4' energy: -12.962 flat angles P-C4'-P energy: -5.949 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: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -154.833391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.833391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.833391 (E_RNA) where: Base-Base interactions energy: -101.320 where: short stacking energy: -49.298 Base-Backbone interact. energy: -0.154 local terms energy: -53.358649 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -10.796 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: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -68.031734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.031734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.031734 (E_RNA) where: Base-Base interactions energy: -32.978 where: short stacking energy: -33.078 Base-Backbone interact. energy: -1.198 local terms energy: -33.855692 where: bonds (distance) C4'-P energy: -12.080 bonds (distance) P-C4' energy: -10.813 flat angles C4'-P-C4' energy: -10.049 flat angles P-C4'-P energy: -0.136 tors. eta vs tors. theta energy: -0.778 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: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -78.896436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.896436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.896436 (E_RNA) where: Base-Base interactions energy: -33.835 where: short stacking energy: -33.174 Base-Backbone interact. energy: -0.107 local terms energy: -44.954311 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -9.791 flat angles C4'-P-C4' energy: -9.391 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -8.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -224.124435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.124435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.124435 (E_RNA) where: Base-Base interactions energy: -152.633 where: short stacking energy: -66.634 Base-Backbone interact. energy: -0.263 local terms energy: -71.228522 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -13.142 tors. eta vs tors. theta energy: -18.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -214.511818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.511818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.511818 (E_RNA) where: Base-Base interactions energy: -147.214 where: short stacking energy: -66.923 Base-Backbone interact. energy: 0.096 local terms energy: -67.393622 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -11.561 tors. eta vs tors. theta energy: -17.610 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: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -217.167695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.167695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.167695 (E_RNA) where: Base-Base interactions energy: -149.657 where: short stacking energy: -65.026 Base-Backbone interact. energy: -0.813 local terms energy: -66.696899 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -19.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -210.323644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.323644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.323644 (E_RNA) where: Base-Base interactions energy: -145.252 where: short stacking energy: -64.327 Base-Backbone interact. energy: 1.223 local terms energy: -66.294682 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -9.699 tors. eta vs tors. theta energy: -17.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -194.493860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.493860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.493860 (E_RNA) where: Base-Base interactions energy: -127.814 where: short stacking energy: -62.250 Base-Backbone interact. energy: 1.453 local terms energy: -68.132345 where: bonds (distance) C4'-P energy: -9.300 bonds (distance) P-C4' energy: -15.169 flat angles C4'-P-C4' energy: -15.710 flat angles P-C4'-P energy: -11.341 tors. eta vs tors. theta energy: -16.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -204.594730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.594730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.594730 (E_RNA) where: Base-Base interactions energy: -142.795 where: short stacking energy: -57.652 Base-Backbone interact. energy: -0.292 local terms energy: -61.507387 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -16.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -152.316033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.316033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.316033 (E_RNA) where: Base-Base interactions energy: -97.261 where: short stacking energy: -46.794 Base-Backbone interact. energy: -0.067 local terms energy: -54.988149 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -16.000 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -13.889 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: 8, replica: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -192.383936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.383936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.383936 (E_RNA) where: Base-Base interactions energy: -133.578 where: short stacking energy: -53.016 Base-Backbone interact. energy: -0.058 local terms energy: -58.747432 where: bonds (distance) C4'-P energy: -8.834 bonds (distance) P-C4' energy: -12.392 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -15.119 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: 4 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -88.691449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.691449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.691449 (E_RNA) where: Base-Base interactions energy: -47.958 where: short stacking energy: -24.312 Base-Backbone interact. energy: -0.095 local terms energy: -40.638061 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -10.773 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -73.012190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.012190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.012190 (E_RNA) where: Base-Base interactions energy: -27.780 where: short stacking energy: -27.780 Base-Backbone interact. energy: -0.201 local terms energy: -45.031262 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -14.939 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: -10.895 tors. eta vs tors. theta energy: 1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -218.080522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.080522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.080522 (E_RNA) where: Base-Base interactions energy: -148.614 where: short stacking energy: -62.376 Base-Backbone interact. energy: -0.022 local terms energy: -69.444661 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -15.834 flat angles P-C4'-P energy: -12.528 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -220.859178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.859178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.859178 (E_RNA) where: Base-Base interactions energy: -150.324 where: short stacking energy: -66.651 Base-Backbone interact. energy: -0.000 local terms energy: -70.535047 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -12.880 tors. eta vs tors. theta energy: -18.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -224.328068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.328068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.328068 (E_RNA) where: Base-Base interactions energy: -151.150 where: short stacking energy: -63.897 Base-Backbone interact. energy: -0.412 local terms energy: -72.765898 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -17.140 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -19.671 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: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -197.569785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.569785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.569785 (E_RNA) where: Base-Base interactions energy: -131.719 where: short stacking energy: -66.280 Base-Backbone interact. energy: -0.044 local terms energy: -65.806867 where: bonds (distance) C4'-P energy: -9.868 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -12.400 tors. eta vs tors. theta energy: -19.132 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: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -203.637329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.637329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.637329 (E_RNA) where: Base-Base interactions energy: -147.769 where: short stacking energy: -53.502 Base-Backbone interact. energy: -0.446 local terms energy: -55.422111 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -12.555 flat angles C4'-P-C4' energy: -12.483 flat angles P-C4'-P energy: -7.362 tors. eta vs tors. theta energy: -9.406 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: 6, replica: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -162.362970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.362970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.362970 (E_RNA) where: Base-Base interactions energy: -108.626 where: short stacking energy: -52.744 Base-Backbone interact. energy: 0.454 local terms energy: -54.191250 where: bonds (distance) C4'-P energy: -10.546 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -11.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -201.061911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.061911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.061911 (E_RNA) where: Base-Base interactions energy: -134.299 where: short stacking energy: -58.087 Base-Backbone interact. energy: -0.174 local terms energy: -66.589501 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -12.369 flat angles C4'-P-C4' energy: -15.596 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -18.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -161.047568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.047568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.047568 (E_RNA) where: Base-Base interactions energy: -104.878 where: short stacking energy: -47.841 Base-Backbone interact. energy: -0.348 local terms energy: -55.821499 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -14.347 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -12.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -103.696118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.696118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.696118 (E_RNA) where: Base-Base interactions energy: -63.303 where: short stacking energy: -33.602 Base-Backbone interact. energy: -0.490 local terms energy: -39.903127 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -9.584 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -0.372 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: 10, replica: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -85.322460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.322460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.322460 (E_RNA) where: Base-Base interactions energy: -37.068 where: short stacking energy: -32.206 Base-Backbone interact. energy: -0.009 local terms energy: -48.245320 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -8.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -216.528431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.528431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.528431 (E_RNA) where: Base-Base interactions energy: -147.227 where: short stacking energy: -58.819 Base-Backbone interact. energy: -1.522 local terms energy: -67.779361 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -11.111 tors. eta vs tors. theta energy: -18.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -223.737354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.737354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.737354 (E_RNA) where: Base-Base interactions energy: -151.162 where: short stacking energy: -64.479 Base-Backbone interact. energy: -1.188 local terms energy: -71.387570 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -12.683 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -12.518 tors. eta vs tors. theta energy: -16.216 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: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -205.555634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.555634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.555634 (E_RNA) where: Base-Base interactions energy: -134.908 where: short stacking energy: -63.037 Base-Backbone interact. energy: -0.092 local terms energy: -70.555635 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -20.719 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: 178 Temperature: 1.050000 Total energy: -214.932796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.932796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.932796 (E_RNA) where: Base-Base interactions energy: -148.814 where: short stacking energy: -66.083 Base-Backbone interact. energy: -0.001 local terms energy: -66.117318 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -18.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -211.082596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.082596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.082596 (E_RNA) where: Base-Base interactions energy: -147.533 where: short stacking energy: -59.172 Base-Backbone interact. energy: -0.027 local terms energy: -63.523368 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -7.437 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: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -160.110370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.110370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.110370 (E_RNA) where: Base-Base interactions energy: -103.781 where: short stacking energy: -45.893 Base-Backbone interact. energy: 0.339 local terms energy: -56.669024 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -11.346 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: 178 Temperature: 1.200000 Total energy: -201.922815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.922815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.922815 (E_RNA) where: Base-Base interactions energy: -145.777 where: short stacking energy: -61.349 Base-Backbone interact. energy: 1.388 local terms energy: -57.532992 where: bonds (distance) C4'-P energy: -11.149 bonds (distance) P-C4' energy: -12.519 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -15.461 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: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -158.450827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.450827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.450827 (E_RNA) where: Base-Base interactions energy: -99.899 where: short stacking energy: -45.789 Base-Backbone interact. energy: -0.113 local terms energy: -58.438471 where: bonds (distance) C4'-P energy: -14.507 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -15.366 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -6.814 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: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -70.452169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.452169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.452169 (E_RNA) where: Base-Base interactions energy: -27.859 where: short stacking energy: -23.079 Base-Backbone interact. energy: -0.054 local terms energy: -42.538780 where: bonds (distance) C4'-P energy: -13.128 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -9.967 flat angles P-C4'-P energy: -7.563 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: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -76.171275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.171275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.171275 (E_RNA) where: Base-Base interactions energy: -34.002 where: short stacking energy: -26.187 Base-Backbone interact. energy: 1.435 local terms energy: -43.604216 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: 1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -225.141508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.141508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.141508 (E_RNA) where: Base-Base interactions energy: -151.166 where: short stacking energy: -65.742 Base-Backbone interact. energy: -0.815 local terms energy: -73.160606 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -15.408 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -10.733 tors. eta vs tors. theta energy: -20.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -202.055265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.055265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.055265 (E_RNA) where: Base-Base interactions energy: -139.248 where: short stacking energy: -63.666 Base-Backbone interact. energy: -0.009 local terms energy: -62.798826 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -16.019 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: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -224.740232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.740232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.740232 (E_RNA) where: Base-Base interactions energy: -150.174 where: short stacking energy: -67.705 Base-Backbone interact. energy: -0.092 local terms energy: -74.475087 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -16.547 flat angles P-C4'-P energy: -13.181 tors. eta vs tors. theta energy: -19.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -215.538311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.538311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.538311 (E_RNA) where: Base-Base interactions energy: -146.266 where: short stacking energy: -69.224 Base-Backbone interact. energy: -0.130 local terms energy: -69.142451 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -20.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -216.596281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.596281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.596281 (E_RNA) where: Base-Base interactions energy: -145.615 where: short stacking energy: -64.873 Base-Backbone interact. energy: -0.015 local terms energy: -70.966418 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -14.549 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -22.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -189.406738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.406738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.406738 (E_RNA) where: Base-Base interactions energy: -128.042 where: short stacking energy: -51.969 Base-Backbone interact. energy: -0.044 local terms energy: -61.320963 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -12.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -160.167354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.167354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.167354 (E_RNA) where: Base-Base interactions energy: -103.050 where: short stacking energy: -41.597 Base-Backbone interact. energy: -0.234 local terms energy: -56.883529 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -11.673 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -11.457 tors. eta vs tors. theta energy: -7.769 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: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -194.887524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.887524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.887524 (E_RNA) where: Base-Base interactions energy: -127.662 where: short stacking energy: -52.663 Base-Backbone interact. energy: -0.387 local terms energy: -66.838563 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -14.543 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -14.989 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: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -71.423545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.423545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.423545 (E_RNA) where: Base-Base interactions energy: -24.475 where: short stacking energy: -23.932 Base-Backbone interact. energy: -0.109 local terms energy: -46.839701 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -69.435830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.435830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.435830 (E_RNA) where: Base-Base interactions energy: -24.026 where: short stacking energy: -22.057 Base-Backbone interact. energy: -0.106 local terms energy: -45.303078 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -10.806 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -0.373 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: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -198.392246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.392246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.392246 (E_RNA) where: Base-Base interactions energy: -128.258 where: short stacking energy: -56.771 Base-Backbone interact. energy: -0.002 local terms energy: -70.132843 where: bonds (distance) C4'-P energy: -14.105 bonds (distance) P-C4' energy: -17.370 flat angles C4'-P-C4' energy: -16.061 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -13.060 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: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -211.837105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.837105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.837105 (E_RNA) where: Base-Base interactions energy: -142.435 where: short stacking energy: -62.148 Base-Backbone interact. energy: -0.684 local terms energy: -68.718162 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -14.065 flat angles C4'-P-C4' energy: -15.931 flat angles P-C4'-P energy: -11.778 tors. eta vs tors. theta energy: -16.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -213.993155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.993155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.993155 (E_RNA) where: Base-Base interactions energy: -142.761 where: short stacking energy: -65.733 Base-Backbone interact. energy: -0.007 local terms energy: -71.225676 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -16.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -219.072381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.072381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.072381 (E_RNA) where: Base-Base interactions energy: -147.424 where: short stacking energy: -67.401 Base-Backbone interact. energy: -0.002 local terms energy: -71.646534 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -7.543 tors. eta vs tors. theta energy: -21.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -213.690222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.690222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.690222 (E_RNA) where: Base-Base interactions energy: -144.951 where: short stacking energy: -59.108 Base-Backbone interact. energy: -0.101 local terms energy: -68.638266 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -18.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -189.981986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.981986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.981986 (E_RNA) where: Base-Base interactions energy: -118.536 where: short stacking energy: -55.579 Base-Backbone interact. energy: -0.015 local terms energy: -71.430950 where: bonds (distance) C4'-P energy: -14.204 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -11.900 tors. eta vs tors. theta energy: -17.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -192.689499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.689499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.689499 (E_RNA) where: Base-Base interactions energy: -132.329 where: short stacking energy: -51.147 Base-Backbone interact. energy: -0.334 local terms energy: -60.027056 where: bonds (distance) C4'-P energy: -6.890 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -16.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -155.625120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.625120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.625120 (E_RNA) where: Base-Base interactions energy: -95.904 where: short stacking energy: -41.805 Base-Backbone interact. energy: 0.209 local terms energy: -59.930739 where: bonds (distance) C4'-P energy: -11.402 bonds (distance) P-C4' energy: -16.378 flat angles C4'-P-C4' energy: -9.413 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -13.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -80.040581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.040581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.040581 (E_RNA) where: Base-Base interactions energy: -36.937 where: short stacking energy: -26.806 Base-Backbone interact. energy: 0.374 local terms energy: -43.477430 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -10.443 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -1.553 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: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -73.724374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.724374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.724374 (E_RNA) where: Base-Base interactions energy: -35.566 where: short stacking energy: -26.810 Base-Backbone interact. energy: -0.092 local terms energy: -38.066357 where: bonds (distance) C4'-P energy: -7.995 bonds (distance) P-C4' energy: -9.765 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -7.749 tors. eta vs tors. theta energy: 0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -208.660696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.660696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.660696 (E_RNA) where: Base-Base interactions energy: -137.911 where: short stacking energy: -61.502 Base-Backbone interact. energy: -0.046 local terms energy: -70.703493 where: bonds (distance) C4'-P energy: -12.252 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -11.883 tors. eta vs tors. theta energy: -18.527 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: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -218.537708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.537708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.537708 (E_RNA) where: Base-Base interactions energy: -142.520 where: short stacking energy: -61.155 Base-Backbone interact. energy: -0.765 local terms energy: -75.251847 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -12.622 tors. eta vs tors. theta energy: -16.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -213.638506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.638506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.638506 (E_RNA) where: Base-Base interactions energy: -150.253 where: short stacking energy: -65.575 Base-Backbone interact. energy: -0.309 local terms energy: -63.077421 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -12.019 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -14.077 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: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -204.587106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.587106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.587106 (E_RNA) where: Base-Base interactions energy: -138.252 where: short stacking energy: -55.032 Base-Backbone interact. energy: 0.585 local terms energy: -66.920519 where: bonds (distance) C4'-P energy: -12.391 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -15.018 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: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -206.305970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.305970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.305970 (E_RNA) where: Base-Base interactions energy: -134.385 where: short stacking energy: -58.270 Base-Backbone interact. energy: -0.314 local terms energy: -71.606718 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -11.667 tors. eta vs tors. theta energy: -19.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -204.568938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.568938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.568938 (E_RNA) where: Base-Base interactions energy: -145.571 where: short stacking energy: -66.710 Base-Backbone interact. energy: -0.002 local terms energy: -58.995909 where: bonds (distance) C4'-P energy: -12.656 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -8.683 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -17.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -169.983332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.983332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.983332 (E_RNA) where: Base-Base interactions energy: -113.325 where: short stacking energy: -44.352 Base-Backbone interact. energy: -0.869 local terms energy: -55.789313 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -8.435 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: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -155.000741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.000741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.000741 (E_RNA) where: Base-Base interactions energy: -102.474 where: short stacking energy: -47.001 Base-Backbone interact. energy: -0.107 local terms energy: -52.419827 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -11.967 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -114.144795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.144795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.144795 (E_RNA) where: Base-Base interactions energy: -55.918 where: short stacking energy: -34.168 Base-Backbone interact. energy: -0.195 local terms energy: -58.031677 where: bonds (distance) C4'-P energy: -14.225 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -69.357649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.357649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.357649 (E_RNA) where: Base-Base interactions energy: -25.192 where: short stacking energy: -25.192 Base-Backbone interact. energy: -0.127 local terms energy: -44.037980 where: bonds (distance) C4'-P energy: -8.239 bonds (distance) P-C4' energy: -10.350 flat angles C4'-P-C4' energy: -11.009 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -5.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -221.129426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.129426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.129426 (E_RNA) where: Base-Base interactions energy: -152.074 where: short stacking energy: -65.253 Base-Backbone interact. energy: -0.718 local terms energy: -68.337657 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -10.680 tors. eta vs tors. theta energy: -18.150 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: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -209.697889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.697889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.697889 (E_RNA) where: Base-Base interactions energy: -140.984 where: short stacking energy: -67.132 Base-Backbone interact. energy: -0.003 local terms energy: -68.710851 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -16.824 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -18.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -221.787535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.787535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.787535 (E_RNA) where: Base-Base interactions energy: -148.863 where: short stacking energy: -60.546 Base-Backbone interact. energy: -0.025 local terms energy: -72.899626 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -15.620 flat angles P-C4'-P energy: -11.170 tors. eta vs tors. theta energy: -16.572 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: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -212.196105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.196105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.196105 (E_RNA) where: Base-Base interactions energy: -146.946 where: short stacking energy: -65.024 Base-Backbone interact. energy: -0.031 local terms energy: -65.218630 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -7.714 tors. eta vs tors. theta energy: -17.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -207.818433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.818433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.818433 (E_RNA) where: Base-Base interactions energy: -141.638 where: short stacking energy: -64.844 Base-Backbone interact. energy: -0.553 local terms energy: -65.627486 where: bonds (distance) C4'-P energy: -14.681 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -17.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -208.055954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.055954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.055954 (E_RNA) where: Base-Base interactions energy: -146.212 where: short stacking energy: -64.317 Base-Backbone interact. energy: 2.248 local terms energy: -64.092025 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -12.903 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -16.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -180.711686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.711686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.711686 (E_RNA) where: Base-Base interactions energy: -126.243 where: short stacking energy: -54.094 Base-Backbone interact. energy: -0.059 local terms energy: -54.409706 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -10.235 flat angles P-C4'-P energy: -11.783 tors. eta vs tors. theta energy: -12.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -150.674267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.674267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.674267 (E_RNA) where: Base-Base interactions energy: -96.429 where: short stacking energy: -42.512 Base-Backbone interact. energy: -0.069 local terms energy: -54.176500 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -10.294 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -7.520 tors. eta vs tors. theta energy: -13.258 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: 9, replica: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -120.061215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.061215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.061215 (E_RNA) where: Base-Base interactions energy: -64.690 where: short stacking energy: -35.971 Base-Backbone interact. energy: 2.060 local terms energy: -57.431513 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -10.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -75.031072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.031072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.031072 (E_RNA) where: Base-Base interactions energy: -30.960 where: short stacking energy: -30.960 Base-Backbone interact. energy: -0.087 local terms energy: -43.983297 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -1.275 tors. eta vs tors. theta energy: -5.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -217.721607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.721607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.721607 (E_RNA) where: Base-Base interactions energy: -153.636 where: short stacking energy: -66.294 Base-Backbone interact. energy: -0.269 local terms energy: -63.816857 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -9.915 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -18.153 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: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -223.793161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.793161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.793161 (E_RNA) where: Base-Base interactions energy: -152.999 where: short stacking energy: -68.870 Base-Backbone interact. energy: -0.228 local terms energy: -70.566113 where: bonds (distance) C4'-P energy: -15.323 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -19.023 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: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -202.376280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.376280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.376280 (E_RNA) where: Base-Base interactions energy: -127.914 where: short stacking energy: -62.096 Base-Backbone interact. energy: -0.079 local terms energy: -74.383627 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -16.033 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -17.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -213.602861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.602861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.602861 (E_RNA) where: Base-Base interactions energy: -143.992 where: short stacking energy: -60.460 Base-Backbone interact. energy: -0.002 local terms energy: -69.609516 where: bonds (distance) C4'-P energy: -15.389 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: -16.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -207.834990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.834990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.834990 (E_RNA) where: Base-Base interactions energy: -143.067 where: short stacking energy: -60.040 Base-Backbone interact. energy: -0.022 local terms energy: -64.746845 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -13.300 flat angles C4'-P-C4' energy: -10.935 flat angles P-C4'-P energy: -11.007 tors. eta vs tors. theta energy: -15.087 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: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -199.257161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.257161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.257161 (E_RNA) where: Base-Base interactions energy: -137.942 where: short stacking energy: -57.948 Base-Backbone interact. energy: -0.375 local terms energy: -60.940410 where: bonds (distance) C4'-P energy: -15.356 bonds (distance) P-C4' energy: -10.518 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -13.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -199.130850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.130850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.130850 (E_RNA) where: Base-Base interactions energy: -133.612 where: short stacking energy: -56.341 Base-Backbone interact. energy: -0.007 local terms energy: -65.511886 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -17.688 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: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -160.814842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.814842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.814842 (E_RNA) where: Base-Base interactions energy: -102.995 where: short stacking energy: -39.762 Base-Backbone interact. energy: -0.245 local terms energy: -57.574798 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -6.115 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: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -91.665746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.665746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.665746 (E_RNA) where: Base-Base interactions energy: -42.955 where: short stacking energy: -38.258 Base-Backbone interact. energy: 1.918 local terms energy: -50.628357 where: bonds (distance) C4'-P energy: -10.292 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -4.900 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: 183 Temperature: 1.350000 Total energy: -68.338114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.338114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.338114 (E_RNA) where: Base-Base interactions energy: -25.714 where: short stacking energy: -25.714 Base-Backbone interact. energy: -0.286 local terms energy: -42.337834 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -10.333 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: -1.494 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: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -218.982878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.982878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.982878 (E_RNA) where: Base-Base interactions energy: -154.579 where: short stacking energy: -64.897 Base-Backbone interact. energy: -0.026 local terms energy: -64.377079 where: bonds (distance) C4'-P energy: -12.710 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -11.049 tors. eta vs tors. theta energy: -18.418 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: 6 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -218.142890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.142890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.142890 (E_RNA) where: Base-Base interactions energy: -151.643 where: short stacking energy: -70.405 Base-Backbone interact. energy: -0.043 local terms energy: -66.457077 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -19.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -214.636428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.636428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.636428 (E_RNA) where: Base-Base interactions energy: -141.935 where: short stacking energy: -60.831 Base-Backbone interact. energy: -0.612 local terms energy: -72.089252 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -11.229 tors. eta vs tors. theta energy: -16.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -201.987240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.987240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.987240 (E_RNA) where: Base-Base interactions energy: -135.491 where: short stacking energy: -59.108 Base-Backbone interact. energy: -0.030 local terms energy: -66.465948 where: bonds (distance) C4'-P energy: -12.206 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -15.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -211.975435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.975435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.975435 (E_RNA) where: Base-Base interactions energy: -145.384 where: short stacking energy: -59.833 Base-Backbone interact. energy: -0.165 local terms energy: -66.427054 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -13.059 flat angles C4'-P-C4' energy: -12.003 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -17.228 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: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -202.574313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.574313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.574313 (E_RNA) where: Base-Base interactions energy: -135.006 where: short stacking energy: -58.786 Base-Backbone interact. energy: -0.068 local terms energy: -67.500247 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -13.635 flat angles P-C4'-P energy: -9.614 tors. eta vs tors. theta energy: -19.394 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: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -196.057401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.057401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.057401 (E_RNA) where: Base-Base interactions energy: -141.354 where: short stacking energy: -61.213 Base-Backbone interact. energy: 0.356 local terms energy: -55.059088 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -16.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -125.274059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.274059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.274059 (E_RNA) where: Base-Base interactions energy: -86.344 where: short stacking energy: -31.704 Base-Backbone interact. energy: -0.129 local terms energy: -38.800878 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -72.825302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.825302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.825302 (E_RNA) where: Base-Base interactions energy: -28.335 where: short stacking energy: -25.633 Base-Backbone interact. energy: 1.028 local terms energy: -45.518818 where: bonds (distance) C4'-P energy: -8.429 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -5.723 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: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -81.883038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.883038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.883038 (E_RNA) where: Base-Base interactions energy: -39.811 where: short stacking energy: -33.129 Base-Backbone interact. energy: -0.010 local terms energy: -42.062542 where: bonds (distance) C4'-P energy: -9.257 bonds (distance) P-C4' energy: -10.476 flat angles C4'-P-C4' energy: -11.712 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -4.458 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: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -224.203890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.203890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.203890 (E_RNA) where: Base-Base interactions energy: -153.636 where: short stacking energy: -67.575 Base-Backbone interact. energy: -0.026 local terms energy: -70.542274 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -17.688 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: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -214.442992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.442992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.442992 (E_RNA) where: Base-Base interactions energy: -145.292 where: short stacking energy: -69.168 Base-Backbone interact. energy: -1.532 local terms energy: -67.619385 where: bonds (distance) C4'-P energy: -9.762 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -21.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -217.365969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.365969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.365969 (E_RNA) where: Base-Base interactions energy: -150.847 where: short stacking energy: -69.377 Base-Backbone interact. energy: -0.059 local terms energy: -66.459637 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -8.194 tors. eta vs tors. theta energy: -18.380 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: 185 Temperature: 1.050000 Total energy: -210.846833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.846833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.846833 (E_RNA) where: Base-Base interactions energy: -142.232 where: short stacking energy: -62.593 Base-Backbone interact. energy: -0.081 local terms energy: -68.533930 where: bonds (distance) C4'-P energy: -14.942 bonds (distance) P-C4' energy: -12.263 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -17.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -192.606629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.606629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.606629 (E_RNA) where: Base-Base interactions energy: -129.942 where: short stacking energy: -61.318 Base-Backbone interact. energy: -0.099 local terms energy: -62.564986 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -14.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -207.287314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.287314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.287314 (E_RNA) where: Base-Base interactions energy: -144.907 where: short stacking energy: -56.542 Base-Backbone interact. energy: -1.224 local terms energy: -61.156641 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -13.383 flat angles P-C4'-P energy: -8.484 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: 7, replica: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -184.390746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.390746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.390746 (E_RNA) where: Base-Base interactions energy: -134.154 where: short stacking energy: -51.201 Base-Backbone interact. energy: -0.141 local terms energy: -50.094969 where: bonds (distance) C4'-P energy: -10.984 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -83.383233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.383233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.383233 (E_RNA) where: Base-Base interactions energy: -30.642 where: short stacking energy: -30.642 Base-Backbone interact. energy: 0.166 local terms energy: -52.907113 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -11.251 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -128.837777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.837777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.837777 (E_RNA) where: Base-Base interactions energy: -77.575 where: short stacking energy: -37.009 Base-Backbone interact. energy: -0.192 local terms energy: -51.070648 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -73.266954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.266954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.266954 (E_RNA) where: Base-Base interactions energy: -30.145 where: short stacking energy: -19.781 Base-Backbone interact. energy: -0.298 local terms energy: -42.823645 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -15.628 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -225.554134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.554134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.554134 (E_RNA) where: Base-Base interactions energy: -151.847 where: short stacking energy: -64.496 Base-Backbone interact. energy: -0.028 local terms energy: -73.679380 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -16.990 flat angles P-C4'-P energy: -11.553 tors. eta vs tors. theta energy: -18.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -221.339633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.339633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.339633 (E_RNA) where: Base-Base interactions energy: -151.967 where: short stacking energy: -67.301 Base-Backbone interact. energy: -0.029 local terms energy: -69.343473 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -17.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -213.621172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.621172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.621172 (E_RNA) where: Base-Base interactions energy: -145.625 where: short stacking energy: -66.862 Base-Backbone interact. energy: -0.010 local terms energy: -67.986502 where: bonds (distance) C4'-P energy: -11.658 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -19.056 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: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -214.816077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.816077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.816077 (E_RNA) where: Base-Base interactions energy: -146.300 where: short stacking energy: -60.750 Base-Backbone interact. energy: -0.137 local terms energy: -68.379227 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -9.616 tors. eta vs tors. theta energy: -17.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -206.001517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.001517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.001517 (E_RNA) where: Base-Base interactions energy: -135.826 where: short stacking energy: -58.988 Base-Backbone interact. energy: -0.002 local terms energy: -70.174267 where: bonds (distance) C4'-P energy: -14.175 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -17.647 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: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -194.643423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.643423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.643423 (E_RNA) where: Base-Base interactions energy: -128.740 where: short stacking energy: -57.180 Base-Backbone interact. energy: -0.023 local terms energy: -65.881024 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -15.382 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: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -152.012094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.012094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.012094 (E_RNA) where: Base-Base interactions energy: -100.833 where: short stacking energy: -50.913 Base-Backbone interact. energy: -0.046 local terms energy: -51.133389 where: bonds (distance) C4'-P energy: -10.166 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -10.584 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -8.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -78.125487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.125487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.125487 (E_RNA) where: Base-Base interactions energy: -35.232 where: short stacking energy: -21.978 Base-Backbone interact. energy: -0.144 local terms energy: -42.748990 where: bonds (distance) C4'-P energy: -5.660 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -3.702 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: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -77.123351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.123351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.123351 (E_RNA) where: Base-Base interactions energy: -37.574 where: short stacking energy: -28.537 Base-Backbone interact. energy: 0.491 local terms energy: -40.040693 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -10.510 flat angles P-C4'-P energy: -0.839 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -112.583081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.583081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.583081 (E_RNA) where: Base-Base interactions energy: -65.378 where: short stacking energy: -32.251 Base-Backbone interact. energy: 0.099 local terms energy: -47.304137 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -13.779 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -5.127 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: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -222.731735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.731735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.731735 (E_RNA) where: Base-Base interactions energy: -146.657 where: short stacking energy: -66.832 Base-Backbone interact. energy: -0.429 local terms energy: -75.645866 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -16.420 flat angles P-C4'-P energy: -12.379 tors. eta vs tors. theta energy: -18.767 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: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -216.743511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.743511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.743511 (E_RNA) where: Base-Base interactions energy: -141.938 where: short stacking energy: -57.485 Base-Backbone interact. energy: -0.156 local terms energy: -74.649266 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -16.199 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -19.127 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: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -217.848146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.848146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.848146 (E_RNA) where: Base-Base interactions energy: -147.840 where: short stacking energy: -61.792 Base-Backbone interact. energy: -0.334 local terms energy: -69.673671 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -16.605 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: -15.022 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: 187 Temperature: 1.050000 Total energy: -211.382399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.382399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.382399 (E_RNA) where: Base-Base interactions energy: -145.249 where: short stacking energy: -60.318 Base-Backbone interact. energy: -0.254 local terms energy: -65.879408 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -11.957 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -15.287 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: 187 Temperature: 1.100000 Total energy: -208.868236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.868236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.868236 (E_RNA) where: Base-Base interactions energy: -139.276 where: short stacking energy: -59.450 Base-Backbone interact. energy: 0.938 local terms energy: -70.530958 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -14.147 flat angles C4'-P-C4' energy: -15.373 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -18.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -186.102085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.102085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.102085 (E_RNA) where: Base-Base interactions energy: -121.963 where: short stacking energy: -55.269 Base-Backbone interact. energy: -0.628 local terms energy: -63.510845 where: bonds (distance) C4'-P energy: -10.897 bonds (distance) P-C4' energy: -15.834 flat angles C4'-P-C4' energy: -13.088 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -13.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -148.678473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.678473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.678473 (E_RNA) where: Base-Base interactions energy: -88.703 where: short stacking energy: -34.623 Base-Backbone interact. energy: -0.028 local terms energy: -59.946970 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -10.211 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -10.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -70.360774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.360774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.360774 (E_RNA) where: Base-Base interactions energy: -35.003 where: short stacking energy: -16.849 Base-Backbone interact. energy: -0.235 local terms energy: -35.123109 where: bonds (distance) C4'-P energy: -8.566 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -10.505 flat angles P-C4'-P energy: -1.389 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -73.195956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.195956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.195956 (E_RNA) where: Base-Base interactions energy: -26.702 where: short stacking energy: -26.702 Base-Backbone interact. energy: -0.185 local terms energy: -46.309593 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -0.767 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: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -74.618872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.618872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.618872 (E_RNA) where: Base-Base interactions energy: -31.136 where: short stacking energy: -31.136 Base-Backbone interact. energy: -0.107 local terms energy: -43.375791 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -14.347 flat angles P-C4'-P energy: -7.105 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -219.527336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.527336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.527336 (E_RNA) where: Base-Base interactions energy: -150.936 where: short stacking energy: -69.994 Base-Backbone interact. energy: -0.014 local terms energy: -68.576872 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -20.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -222.007018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.007018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.007018 (E_RNA) where: Base-Base interactions energy: -151.581 where: short stacking energy: -67.520 Base-Backbone interact. energy: -0.816 local terms energy: -69.609694 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -11.707 tors. eta vs tors. theta energy: -18.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -221.107581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.107581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.107581 (E_RNA) where: Base-Base interactions energy: -147.862 where: short stacking energy: -67.783 Base-Backbone interact. energy: -0.001 local terms energy: -73.243833 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -15.356 flat angles P-C4'-P energy: -11.708 tors. eta vs tors. theta energy: -18.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -210.572260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.572260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.572260 (E_RNA) where: Base-Base interactions energy: -143.984 where: short stacking energy: -62.552 Base-Backbone interact. energy: -0.077 local terms energy: -66.511332 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -11.914 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -19.703 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: 188 Temperature: 1.100000 Total energy: -206.034849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.034849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.034849 (E_RNA) where: Base-Base interactions energy: -136.763 where: short stacking energy: -56.097 Base-Backbone interact. energy: -0.001 local terms energy: -69.271016 where: bonds (distance) C4'-P energy: -13.819 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -18.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -180.611119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.611119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.611119 (E_RNA) where: Base-Base interactions energy: -113.872 where: short stacking energy: -53.078 Base-Backbone interact. energy: -0.355 local terms energy: -66.383725 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -10.715 flat angles C4'-P-C4' energy: -15.063 flat angles P-C4'-P energy: -12.452 tors. eta vs tors. theta energy: -15.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -158.675138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.675138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.675138 (E_RNA) where: Base-Base interactions energy: -110.165 where: short stacking energy: -43.340 Base-Backbone interact. energy: -0.148 local terms energy: -48.362043 where: bonds (distance) C4'-P energy: -7.358 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -9.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -77.138030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.138030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.138030 (E_RNA) where: Base-Base interactions energy: -34.279 where: short stacking energy: -33.915 Base-Backbone interact. energy: 0.036 local terms energy: -42.895110 where: bonds (distance) C4'-P energy: -12.466 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -82.195978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.195978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.195978 (E_RNA) where: Base-Base interactions energy: -38.275 where: short stacking energy: -24.825 Base-Backbone interact. energy: -1.601 local terms energy: -42.320281 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -73.885548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.885548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.885548 (E_RNA) where: Base-Base interactions energy: -20.747 where: short stacking energy: -20.898 Base-Backbone interact. energy: -0.218 local terms energy: -52.920315 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -12.937 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -218.260310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.260310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.260310 (E_RNA) where: Base-Base interactions energy: -149.928 where: short stacking energy: -60.993 Base-Backbone interact. energy: -0.077 local terms energy: -68.255189 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -20.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -218.155086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.155086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.155086 (E_RNA) where: Base-Base interactions energy: -144.545 where: short stacking energy: -66.055 Base-Backbone interact. energy: -1.018 local terms energy: -72.591941 where: bonds (distance) C4'-P energy: -13.858 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -11.450 tors. eta vs tors. theta energy: -18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -218.634644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.634644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.634644 (E_RNA) where: Base-Base interactions energy: -144.141 where: short stacking energy: -63.737 Base-Backbone interact. energy: -0.039 local terms energy: -74.454264 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -19.588 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: 189 Temperature: 1.050000 Total energy: -211.324930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.324930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.324930 (E_RNA) where: Base-Base interactions energy: -140.327 where: short stacking energy: -62.272 Base-Backbone interact. energy: -0.126 local terms energy: -70.871104 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -15.359 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -20.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -208.940674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.940674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.940674 (E_RNA) where: Base-Base interactions energy: -143.765 where: short stacking energy: -59.306 Base-Backbone interact. energy: 0.595 local terms energy: -65.770115 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -17.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -188.735569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.735569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.735569 (E_RNA) where: Base-Base interactions energy: -124.733 where: short stacking energy: -56.261 Base-Backbone interact. energy: -0.102 local terms energy: -63.901351 where: bonds (distance) C4'-P energy: -11.252 bonds (distance) P-C4' energy: -10.024 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -11.793 tors. eta vs tors. theta energy: -17.382 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: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -156.530017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.530017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.530017 (E_RNA) where: Base-Base interactions energy: -99.395 where: short stacking energy: -49.691 Base-Backbone interact. energy: -0.720 local terms energy: -56.414601 where: bonds (distance) C4'-P energy: -7.652 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -5.014 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: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -80.364745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.364745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.364745 (E_RNA) where: Base-Base interactions energy: -36.938 where: short stacking energy: -28.820 Base-Backbone interact. energy: -0.136 local terms energy: -43.291230 where: bonds (distance) C4'-P energy: -10.112 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -10.502 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -3.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -74.898479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.898479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.898479 (E_RNA) where: Base-Base interactions energy: -27.787 where: short stacking energy: -28.491 Base-Backbone interact. energy: -0.062 local terms energy: -47.048758 where: bonds (distance) C4'-P energy: -10.043 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -70.903002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.903002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.903002 (E_RNA) where: Base-Base interactions energy: -34.455 where: short stacking energy: -31.962 Base-Backbone interact. energy: -0.152 local terms energy: -36.295863 where: bonds (distance) C4'-P energy: -8.107 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -2.557 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: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -218.605657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.605657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.605657 (E_RNA) where: Base-Base interactions energy: -146.783 where: short stacking energy: -65.267 Base-Backbone interact. energy: -0.589 local terms energy: -71.233227 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -11.613 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: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -219.209368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.209368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.209368 (E_RNA) where: Base-Base interactions energy: -146.998 where: short stacking energy: -66.504 Base-Backbone interact. energy: -0.243 local terms energy: -71.968525 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -15.625 flat angles P-C4'-P energy: -11.414 tors. eta vs tors. theta energy: -16.332 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: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -213.956354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.956354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.956354 (E_RNA) where: Base-Base interactions energy: -143.187 where: short stacking energy: -64.234 Base-Backbone interact. energy: -0.054 local terms energy: -70.715112 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -12.464 tors. eta vs tors. theta energy: -18.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -217.119322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.119322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.119322 (E_RNA) where: Base-Base interactions energy: -144.281 where: short stacking energy: -62.664 Base-Backbone interact. energy: -0.007 local terms energy: -72.831677 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -16.547 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -20.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -200.877989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.877989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.877989 (E_RNA) where: Base-Base interactions energy: -136.634 where: short stacking energy: -59.065 Base-Backbone interact. energy: -0.006 local terms energy: -64.238796 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -10.497 tors. eta vs tors. theta energy: -12.527 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: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -189.876341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.876341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.876341 (E_RNA) where: Base-Base interactions energy: -128.294 where: short stacking energy: -55.617 Base-Backbone interact. energy: -0.086 local terms energy: -61.496267 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -10.154 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -173.606214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.606214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.606214 (E_RNA) where: Base-Base interactions energy: -113.652 where: short stacking energy: -45.357 Base-Backbone interact. energy: -0.117 local terms energy: -59.837460 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -12.179 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: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -80.162036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.162036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.162036 (E_RNA) where: Base-Base interactions energy: -29.288 where: short stacking energy: -29.288 Base-Backbone interact. energy: -0.866 local terms energy: -50.008128 where: bonds (distance) C4'-P energy: -14.987 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -9.930 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -78.572714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.572714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.572714 (E_RNA) where: Base-Base interactions energy: -32.598 where: short stacking energy: -30.381 Base-Backbone interact. energy: -1.582 local terms energy: -44.393273 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -15.854 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -0.574 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: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -76.841945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.841945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.841945 (E_RNA) where: Base-Base interactions energy: -25.741 where: short stacking energy: -25.004 Base-Backbone interact. energy: -0.060 local terms energy: -51.040793 where: bonds (distance) C4'-P energy: -10.271 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -225.868421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.868421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.868421 (E_RNA) where: Base-Base interactions energy: -153.209 where: short stacking energy: -65.955 Base-Backbone interact. energy: -0.080 local terms energy: -72.579182 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -16.145 flat angles P-C4'-P energy: -11.716 tors. eta vs tors. theta energy: -19.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -218.072276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.072276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.072276 (E_RNA) where: Base-Base interactions energy: -151.334 where: short stacking energy: -68.611 Base-Backbone interact. energy: -0.150 local terms energy: -66.588580 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -17.511 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: 2 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -208.767801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.767801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.767801 (E_RNA) where: Base-Base interactions energy: -145.882 where: short stacking energy: -56.584 Base-Backbone interact. energy: -0.337 local terms energy: -62.548565 where: bonds (distance) C4'-P energy: -10.127 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -11.997 tors. eta vs tors. theta energy: -14.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -213.781890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.781890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.781890 (E_RNA) where: Base-Base interactions energy: -145.801 where: short stacking energy: -65.869 Base-Backbone interact. energy: 0.186 local terms energy: -68.166564 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -20.726 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: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -205.455238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.455238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.455238 (E_RNA) where: Base-Base interactions energy: -142.349 where: short stacking energy: -61.402 Base-Backbone interact. energy: -0.358 local terms energy: -62.747557 where: bonds (distance) C4'-P energy: -9.215 bonds (distance) P-C4' energy: -12.781 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -9.331 tors. eta vs tors. theta energy: -16.272 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: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -202.997741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.997741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.997741 (E_RNA) where: Base-Base interactions energy: -135.011 where: short stacking energy: -58.883 Base-Backbone interact. energy: -0.001 local terms energy: -67.985206 where: bonds (distance) C4'-P energy: -12.470 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -14.039 flat angles P-C4'-P energy: -11.726 tors. eta vs tors. theta energy: -17.364 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: 191 Temperature: 1.200000 Total energy: -192.034506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.034506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.034506 (E_RNA) where: Base-Base interactions energy: -125.511 where: short stacking energy: -49.575 Base-Backbone interact. energy: -0.202 local terms energy: -66.322288 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -11.723 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: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -73.181817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.181817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.181817 (E_RNA) where: Base-Base interactions energy: -24.810 where: short stacking energy: -24.810 Base-Backbone interact. energy: -0.061 local terms energy: -48.311355 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -85.036693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.036693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.036693 (E_RNA) where: Base-Base interactions energy: -35.282 where: short stacking energy: -35.282 Base-Backbone interact. energy: 0.240 local terms energy: -49.994358 where: bonds (distance) C4'-P energy: -9.134 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -9.451 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -8.748 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: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -73.215092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.215092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.215092 (E_RNA) where: Base-Base interactions energy: -31.638 where: short stacking energy: -28.562 Base-Backbone interact. energy: -0.123 local terms energy: -41.454135 where: bonds (distance) C4'-P energy: -12.280 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -225.191128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.191128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.191128 (E_RNA) where: Base-Base interactions energy: -147.799 where: short stacking energy: -62.414 Base-Backbone interact. energy: -0.029 local terms energy: -77.362684 where: bonds (distance) C4'-P energy: -16.034 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -12.203 tors. eta vs tors. theta energy: -18.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -215.860726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.860726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.860726 (E_RNA) where: Base-Base interactions energy: -150.705 where: short stacking energy: -62.402 Base-Backbone interact. energy: -0.109 local terms energy: -65.047295 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -7.482 tors. eta vs tors. theta energy: -17.380 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: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -212.266962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.266962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.266962 (E_RNA) where: Base-Base interactions energy: -144.695 where: short stacking energy: -59.676 Base-Backbone interact. energy: 0.226 local terms energy: -67.798563 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -19.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -212.331889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.331889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.331889 (E_RNA) where: Base-Base interactions energy: -143.367 where: short stacking energy: -60.670 Base-Backbone interact. energy: -0.042 local terms energy: -68.922053 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -19.781 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: 1 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -198.656077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.656077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.656077 (E_RNA) where: Base-Base interactions energy: -135.554 where: short stacking energy: -59.332 Base-Backbone interact. energy: -0.022 local terms energy: -63.079678 where: bonds (distance) C4'-P energy: -6.183 bonds (distance) P-C4' energy: -13.779 flat angles C4'-P-C4' energy: -15.843 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -18.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -195.015398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.015398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.015398 (E_RNA) where: Base-Base interactions energy: -140.933 where: short stacking energy: -61.706 Base-Backbone interact. energy: 0.342 local terms energy: -54.424333 where: bonds (distance) C4'-P energy: -4.021 bonds (distance) P-C4' energy: -14.996 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -14.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -167.824442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.824442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.824442 (E_RNA) where: Base-Base interactions energy: -106.568 where: short stacking energy: -40.355 Base-Backbone interact. energy: -0.344 local terms energy: -60.912075 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -80.959377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.959377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.959377 (E_RNA) where: Base-Base interactions energy: -35.653 where: short stacking energy: -35.653 Base-Backbone interact. energy: 1.852 local terms energy: -47.158538 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -14.031 flat angles C4'-P-C4' energy: -9.046 flat angles P-C4'-P energy: -7.766 tors. eta vs tors. theta energy: -2.952 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: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -98.319624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.319624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.319624 (E_RNA) where: Base-Base interactions energy: -52.202 where: short stacking energy: -26.509 Base-Backbone interact. energy: -0.095 local terms energy: -46.022412 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -14.043 flat angles C4'-P-C4' energy: -8.840 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -68.584776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.584776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.584776 (E_RNA) where: Base-Base interactions energy: -23.418 where: short stacking energy: -15.093 Base-Backbone interact. energy: -0.121 local terms energy: -45.045375 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -14.693 flat angles C4'-P-C4' energy: -11.433 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -224.423172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.423172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.423172 (E_RNA) where: Base-Base interactions energy: -153.230 where: short stacking energy: -67.334 Base-Backbone interact. energy: -0.225 local terms energy: -70.968270 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -12.710 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: 2, replica: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -220.616909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.616909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.616909 (E_RNA) where: Base-Base interactions energy: -147.099 where: short stacking energy: -67.331 Base-Backbone interact. energy: -1.072 local terms energy: -72.446021 where: bonds (distance) C4'-P energy: -16.382 bonds (distance) P-C4' energy: -13.788 flat angles C4'-P-C4' energy: -11.683 flat angles P-C4'-P energy: -12.339 tors. eta vs tors. theta energy: -18.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -218.936216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.936216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.936216 (E_RNA) where: Base-Base interactions energy: -153.231 where: short stacking energy: -66.428 Base-Backbone interact. energy: -0.178 local terms energy: -65.527032 where: bonds (distance) C4'-P energy: -10.493 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -17.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -213.564058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.564058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.564058 (E_RNA) where: Base-Base interactions energy: -139.344 where: short stacking energy: -62.599 Base-Backbone interact. energy: -0.004 local terms energy: -74.215764 where: bonds (distance) C4'-P energy: -11.408 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -14.364 flat angles P-C4'-P energy: -10.424 tors. eta vs tors. theta energy: -21.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -197.036302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.036302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.036302 (E_RNA) where: Base-Base interactions energy: -136.596 where: short stacking energy: -61.166 Base-Backbone interact. energy: 0.309 local terms energy: -60.748339 where: bonds (distance) C4'-P energy: -8.938 bonds (distance) P-C4' energy: -8.259 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -13.297 tors. eta vs tors. theta energy: -16.099 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: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -203.411852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.411852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.411852 (E_RNA) where: Base-Base interactions energy: -141.607 where: short stacking energy: -62.159 Base-Backbone interact. energy: -1.137 local terms energy: -60.668109 where: bonds (distance) C4'-P energy: -10.557 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -16.105 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: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -190.172795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.172795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.172795 (E_RNA) where: Base-Base interactions energy: -135.370 where: short stacking energy: -55.899 Base-Backbone interact. energy: -0.085 local terms energy: -54.718510 where: bonds (distance) C4'-P energy: -13.149 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -8.564 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: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -119.481941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.481941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.481941 (E_RNA) where: Base-Base interactions energy: -64.954 where: short stacking energy: -37.091 Base-Backbone interact. energy: -0.105 local terms energy: -54.422405 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -78.578103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.578103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.578103 (E_RNA) where: Base-Base interactions energy: -31.776 where: short stacking energy: -31.776 Base-Backbone interact. energy: -0.570 local terms energy: -46.231702 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -9.945 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -3.114 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: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -79.406540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.406540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.406540 (E_RNA) where: Base-Base interactions energy: -22.823 where: short stacking energy: -22.652 Base-Backbone interact. energy: -0.031 local terms energy: -56.551755 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -216.560852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.560852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.560852 (E_RNA) where: Base-Base interactions energy: -147.092 where: short stacking energy: -64.170 Base-Backbone interact. energy: -0.010 local terms energy: -69.458553 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -11.019 tors. eta vs tors. theta energy: -18.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -216.537434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.537434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.537434 (E_RNA) where: Base-Base interactions energy: -150.125 where: short stacking energy: -66.253 Base-Backbone interact. energy: -1.012 local terms energy: -65.400409 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -12.479 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -17.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -216.562639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.562639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.562639 (E_RNA) where: Base-Base interactions energy: -147.072 where: short stacking energy: -63.897 Base-Backbone interact. energy: -0.001 local terms energy: -69.489669 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -14.130 flat angles P-C4'-P energy: -12.762 tors. eta vs tors. theta energy: -19.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -212.165719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.165719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.165719 (E_RNA) where: Base-Base interactions energy: -139.809 where: short stacking energy: -60.653 Base-Backbone interact. energy: -0.011 local terms energy: -72.345332 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -18.202 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: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -208.908698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.908698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.908698 (E_RNA) where: Base-Base interactions energy: -146.124 where: short stacking energy: -69.306 Base-Backbone interact. energy: -0.936 local terms energy: -61.848257 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -11.906 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -19.253 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: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -196.668045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.668045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.668045 (E_RNA) where: Base-Base interactions energy: -138.000 where: short stacking energy: -60.575 Base-Backbone interact. energy: -0.125 local terms energy: -58.543790 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -16.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -189.246413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.246413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.246413 (E_RNA) where: Base-Base interactions energy: -131.740 where: short stacking energy: -60.321 Base-Backbone interact. energy: -0.000 local terms energy: -57.506460 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -2.102 tors. eta vs tors. theta energy: -16.670 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: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -93.716738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.716738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.716738 (E_RNA) where: Base-Base interactions energy: -50.005 where: short stacking energy: -26.789 Base-Backbone interact. energy: -2.189 local terms energy: -41.523286 where: bonds (distance) C4'-P energy: -9.497 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -9.525 flat angles P-C4'-P energy: -6.487 tors. eta vs tors. theta energy: -4.504 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: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -78.871102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.871102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.871102 (E_RNA) where: Base-Base interactions energy: -26.480 where: short stacking energy: -23.280 Base-Backbone interact. energy: -0.025 local terms energy: -52.366168 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -9.961 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -72.640132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.640132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.640132 (E_RNA) where: Base-Base interactions energy: -25.137 where: short stacking energy: -25.137 Base-Backbone interact. energy: 0.198 local terms energy: -47.701350 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -8.182 tors. eta vs tors. theta energy: -5.875 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: 2 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -223.046979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.046979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.046979 (E_RNA) where: Base-Base interactions energy: -151.924 where: short stacking energy: -69.262 Base-Backbone interact. energy: -0.635 local terms energy: -70.487811 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -10.646 tors. eta vs tors. theta energy: -19.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -217.144186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.144186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.144186 (E_RNA) where: Base-Base interactions energy: -146.489 where: short stacking energy: -65.130 Base-Backbone interact. energy: -0.156 local terms energy: -70.499064 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -19.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -215.096813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.096813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.096813 (E_RNA) where: Base-Base interactions energy: -147.050 where: short stacking energy: -65.921 Base-Backbone interact. energy: 0.015 local terms energy: -68.061919 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -11.460 flat angles C4'-P-C4' energy: -16.645 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -17.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -213.103612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.103612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.103612 (E_RNA) where: Base-Base interactions energy: -148.508 where: short stacking energy: -64.839 Base-Backbone interact. energy: -0.366 local terms energy: -64.230238 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -10.801 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -20.042 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: 5, replica: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -207.715459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.715459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.715459 (E_RNA) where: Base-Base interactions energy: -145.349 where: short stacking energy: -60.708 Base-Backbone interact. energy: -0.326 local terms energy: -62.040497 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -12.437 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -19.200 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: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -198.859359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.859359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.859359 (E_RNA) where: Base-Base interactions energy: -142.162 where: short stacking energy: -59.534 Base-Backbone interact. energy: -0.010 local terms energy: -56.688032 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -15.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -188.305123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.305123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.305123 (E_RNA) where: Base-Base interactions energy: -124.662 where: short stacking energy: -55.317 Base-Backbone interact. energy: -0.003 local terms energy: -63.639931 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -10.678 tors. eta vs tors. theta energy: -17.844 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: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -78.250427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.250427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.250427 (E_RNA) where: Base-Base interactions energy: -29.296 where: short stacking energy: -29.296 Base-Backbone interact. energy: -0.233 local terms energy: -48.721593 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -9.082 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -79.624057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.624057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.624057 (E_RNA) where: Base-Base interactions energy: -29.570 where: short stacking energy: -26.367 Base-Backbone interact. energy: -0.060 local terms energy: -49.994019 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -76.527641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.527641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.527641 (E_RNA) where: Base-Base interactions energy: -27.019 where: short stacking energy: -27.019 Base-Backbone interact. energy: -0.003 local terms energy: -49.504671 where: bonds (distance) C4'-P energy: -10.168 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -220.974371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.974371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.974371 (E_RNA) where: Base-Base interactions energy: -154.580 where: short stacking energy: -68.141 Base-Backbone interact. energy: -0.359 local terms energy: -66.035481 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -8.167 tors. eta vs tors. theta energy: -18.272 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: 2, replica: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -218.116246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.116246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.116246 (E_RNA) where: Base-Base interactions energy: -148.928 where: short stacking energy: -63.092 Base-Backbone interact. energy: -0.167 local terms energy: -69.021269 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -19.127 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: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -212.799970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.799970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.799970 (E_RNA) where: Base-Base interactions energy: -149.162 where: short stacking energy: -65.514 Base-Backbone interact. energy: -0.001 local terms energy: -63.636612 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -19.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -211.991874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.991874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.991874 (E_RNA) where: Base-Base interactions energy: -141.182 where: short stacking energy: -59.799 Base-Backbone interact. energy: -0.009 local terms energy: -70.801308 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -17.408 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -17.637 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: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -205.140529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.140529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.140529 (E_RNA) where: Base-Base interactions energy: -145.168 where: short stacking energy: -60.591 Base-Backbone interact. energy: 0.347 local terms energy: -60.319302 where: bonds (distance) C4'-P energy: -9.117 bonds (distance) P-C4' energy: -6.260 flat angles C4'-P-C4' energy: -14.628 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -19.869 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: 196 Temperature: 1.150000 Total energy: -212.754538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.754538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.754538 (E_RNA) where: Base-Base interactions energy: -141.400 where: short stacking energy: -64.970 Base-Backbone interact. energy: -0.167 local terms energy: -71.187195 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -19.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -192.670777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.670777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.670777 (E_RNA) where: Base-Base interactions energy: -128.123 where: short stacking energy: -62.205 Base-Backbone interact. energy: 0.876 local terms energy: -65.424078 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -16.202 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -16.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -87.443859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.443859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.443859 (E_RNA) where: Base-Base interactions energy: -35.397 where: short stacking energy: -23.498 Base-Backbone interact. energy: -0.114 local terms energy: -51.932993 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -14.966 flat angles P-C4'-P energy: -11.787 tors. eta vs tors. theta energy: 1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -77.477391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.477391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.477391 (E_RNA) where: Base-Base interactions energy: -23.940 where: short stacking energy: -23.940 Base-Backbone interact. energy: -0.118 local terms energy: -53.418970 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -12.492 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -66.475506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.475506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.475506 (E_RNA) where: Base-Base interactions energy: -17.932 where: short stacking energy: -17.932 Base-Backbone interact. energy: -0.166 local terms energy: -48.376593 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -215.869351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.869351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.869351 (E_RNA) where: Base-Base interactions energy: -147.483 where: short stacking energy: -65.340 Base-Backbone interact. energy: -0.001 local terms energy: -68.386163 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -19.400 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: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -220.223263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.223263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.223263 (E_RNA) where: Base-Base interactions energy: -149.614 where: short stacking energy: -63.213 Base-Backbone interact. energy: -0.633 local terms energy: -69.976478 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -13.482 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -17.967 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: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -212.776484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.776484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.776484 (E_RNA) where: Base-Base interactions energy: -147.170 where: short stacking energy: -58.320 Base-Backbone interact. energy: -0.101 local terms energy: -65.505526 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -7.847 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -11.216 tors. eta vs tors. theta energy: -18.343 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: 197 Temperature: 1.050000 Total energy: -213.244916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.244916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.244916 (E_RNA) where: Base-Base interactions energy: -139.979 where: short stacking energy: -62.454 Base-Backbone interact. energy: -0.053 local terms energy: -73.212339 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -11.298 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: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -215.841823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.841823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.841823 (E_RNA) where: Base-Base interactions energy: -146.784 where: short stacking energy: -64.322 Base-Backbone interact. energy: -0.084 local terms energy: -68.973896 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -9.454 tors. eta vs tors. theta energy: -17.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -203.100981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.100981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.100981 (E_RNA) where: Base-Base interactions energy: -128.180 where: short stacking energy: -56.880 Base-Backbone interact. energy: -0.068 local terms energy: -74.852417 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -9.579 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: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -202.895557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.895557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.895557 (E_RNA) where: Base-Base interactions energy: -139.152 where: short stacking energy: -56.602 Base-Backbone interact. energy: -0.835 local terms energy: -62.909235 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -16.688 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: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -85.094899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.094899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.094899 (E_RNA) where: Base-Base interactions energy: -34.942 where: short stacking energy: -26.843 Base-Backbone interact. energy: -0.110 local terms energy: -50.042963 where: bonds (distance) C4'-P energy: -9.841 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -1.790 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: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -75.249823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.249823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.249823 (E_RNA) where: Base-Base interactions energy: -31.528 where: short stacking energy: -31.528 Base-Backbone interact. energy: -0.028 local terms energy: -43.693395 where: bonds (distance) C4'-P energy: -9.225 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -2.827 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: 197 Temperature: 1.350000 Total energy: -75.237479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.237479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.237479 (E_RNA) where: Base-Base interactions energy: -36.473 where: short stacking energy: -31.997 Base-Backbone interact. energy: -0.124 local terms energy: -38.640388 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -10.356 flat angles P-C4'-P energy: -9.539 tors. eta vs tors. theta energy: -1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -222.529112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.529112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.529112 (E_RNA) where: Base-Base interactions energy: -150.033 where: short stacking energy: -64.874 Base-Backbone interact. energy: -0.002 local terms energy: -72.494094 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -19.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -218.841795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.841795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.841795 (E_RNA) where: Base-Base interactions energy: -146.282 where: short stacking energy: -64.313 Base-Backbone interact. energy: 0.004 local terms energy: -72.564182 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -15.430 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -11.422 tors. eta vs tors. theta energy: -15.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -218.796441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.796441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.796441 (E_RNA) where: Base-Base interactions energy: -149.834 where: short stacking energy: -65.609 Base-Backbone interact. energy: -0.613 local terms energy: -68.349224 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -12.115 tors. eta vs tors. theta energy: -18.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -206.145055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.145055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.145055 (E_RNA) where: Base-Base interactions energy: -136.250 where: short stacking energy: -58.444 Base-Backbone interact. energy: -0.069 local terms energy: -69.826568 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -9.250 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: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -203.304921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.304921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.304921 (E_RNA) where: Base-Base interactions energy: -135.204 where: short stacking energy: -68.151 Base-Backbone interact. energy: -0.723 local terms energy: -67.377391 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -10.770 flat angles C4'-P-C4' energy: -16.335 flat angles P-C4'-P energy: -11.498 tors. eta vs tors. theta energy: -18.839 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: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -194.617892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.617892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.617892 (E_RNA) where: Base-Base interactions energy: -134.360 where: short stacking energy: -56.299 Base-Backbone interact. energy: -0.047 local terms energy: -60.209977 where: bonds (distance) C4'-P energy: -9.535 bonds (distance) P-C4' energy: -11.841 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: -16.759 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: 198 Temperature: 1.200000 Total energy: -195.248960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.248960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.248960 (E_RNA) where: Base-Base interactions energy: -130.333 where: short stacking energy: -54.857 Base-Backbone interact. energy: -0.010 local terms energy: -64.906374 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -11.464 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -16.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -77.592820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.592820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.592820 (E_RNA) where: Base-Base interactions energy: -28.609 where: short stacking energy: -28.609 Base-Backbone interact. energy: 0.349 local terms energy: -49.333257 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -12.714 flat angles C4'-P-C4' energy: -11.002 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -4.609 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: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -72.602997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.602997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.602997 (E_RNA) where: Base-Base interactions energy: -29.687 where: short stacking energy: -29.392 Base-Backbone interact. energy: 0.655 local terms energy: -43.570533 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -8.739 flat angles C4'-P-C4' energy: -16.208 flat angles P-C4'-P energy: -1.112 tors. eta vs tors. theta energy: -4.204 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: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -71.936923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.936923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.936923 (E_RNA) where: Base-Base interactions energy: -23.355 where: short stacking energy: -22.244 Base-Backbone interact. energy: -0.102 local terms energy: -48.479725 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -9.529 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -228.854472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.854472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.854472 (E_RNA) where: Base-Base interactions energy: -148.416 where: short stacking energy: -70.252 Base-Backbone interact. energy: -1.487 local terms energy: -78.952204 where: bonds (distance) C4'-P energy: -15.446 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -11.056 tors. eta vs tors. theta energy: -21.258 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: 2, replica: 6 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -204.238709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.238709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.238709 (E_RNA) where: Base-Base interactions energy: -146.954 where: short stacking energy: -63.504 Base-Backbone interact. energy: -0.130 local terms energy: -57.154694 where: bonds (distance) C4'-P energy: -10.242 bonds (distance) P-C4' energy: -11.003 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -13.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -220.077195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.077195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.077195 (E_RNA) where: Base-Base interactions energy: -151.919 where: short stacking energy: -70.609 Base-Backbone interact. energy: -0.076 local terms energy: -68.081760 where: bonds (distance) C4'-P energy: -10.271 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -20.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -200.775492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.775492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.775492 (E_RNA) where: Base-Base interactions energy: -137.934 where: short stacking energy: -60.681 Base-Backbone interact. energy: -0.567 local terms energy: -62.274479 where: bonds (distance) C4'-P energy: -8.914 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -19.435 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: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -205.953428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.953428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.953428 (E_RNA) where: Base-Base interactions energy: -133.606 where: short stacking energy: -60.869 Base-Backbone interact. energy: -0.099 local terms energy: -72.248369 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -15.151 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -18.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -196.468841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.468841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.468841 (E_RNA) where: Base-Base interactions energy: -133.395 where: short stacking energy: -51.391 Base-Backbone interact. energy: -0.208 local terms energy: -62.865151 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -13.227 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -9.655 tors. eta vs tors. theta energy: -11.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -175.201140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.201140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.201140 (E_RNA) where: Base-Base interactions energy: -115.167 where: short stacking energy: -52.930 Base-Backbone interact. energy: 0.494 local terms energy: -60.527879 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -13.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -85.958609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.958609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.958609 (E_RNA) where: Base-Base interactions energy: -33.173 where: short stacking energy: -25.684 Base-Backbone interact. energy: -0.003 local terms energy: -52.782535 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -13.798 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -6.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -73.576176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.576176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.576176 (E_RNA) where: Base-Base interactions energy: -31.410 where: short stacking energy: -28.428 Base-Backbone interact. energy: 0.033 local terms energy: -42.199765 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -10.885 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -79.124890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.124890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.124890 (E_RNA) where: Base-Base interactions energy: -27.032 where: short stacking energy: -16.024 Base-Backbone interact. energy: -0.103 local terms energy: -51.990525 where: bonds (distance) C4'-P energy: -14.932 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -9.212 tors. eta vs tors. theta energy: -2.037 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: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -217.190488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.190488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.190488 (E_RNA) where: Base-Base interactions energy: -148.242 where: short stacking energy: -62.599 Base-Backbone interact. energy: -0.297 local terms energy: -68.651246 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -18.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -216.015933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.015933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.015933 (E_RNA) where: Base-Base interactions energy: -143.797 where: short stacking energy: -60.083 Base-Backbone interact. energy: -0.096 local terms energy: -72.122667 where: bonds (distance) C4'-P energy: -15.671 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -11.297 tors. eta vs tors. theta energy: -17.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -203.087784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.087784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.087784 (E_RNA) where: Base-Base interactions energy: -132.161 where: short stacking energy: -58.218 Base-Backbone interact. energy: -0.032 local terms energy: -70.895416 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -14.787 flat angles P-C4'-P energy: -13.397 tors. eta vs tors. theta energy: -15.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -209.862912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.862912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.862912 (E_RNA) where: Base-Base interactions energy: -140.582 where: short stacking energy: -64.907 Base-Backbone interact. energy: 1.725 local terms energy: -71.005806 where: bonds (distance) C4'-P energy: -14.391 bonds (distance) P-C4' energy: -10.810 flat angles C4'-P-C4' energy: -15.740 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -19.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -192.184605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.184605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.184605 (E_RNA) where: Base-Base interactions energy: -129.244 where: short stacking energy: -50.820 Base-Backbone interact. energy: -0.070 local terms energy: -62.870724 where: bonds (distance) C4'-P energy: -13.907 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -13.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -203.930393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.930393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.930393 (E_RNA) where: Base-Base interactions energy: -141.618 where: short stacking energy: -55.892 Base-Backbone interact. energy: -0.038 local terms energy: -62.274854 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -12.752 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -14.853 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: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -201.039550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.039550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.039550 (E_RNA) where: Base-Base interactions energy: -138.025 where: short stacking energy: -59.560 Base-Backbone interact. energy: -0.059 local terms energy: -62.955494 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -13.577 flat angles C4'-P-C4' energy: -10.591 flat angles P-C4'-P energy: -11.388 tors. eta vs tors. theta energy: -15.672 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: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -81.788082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.788082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.788082 (E_RNA) where: Base-Base interactions energy: -25.826 where: short stacking energy: -25.826 Base-Backbone interact. energy: -0.010 local terms energy: -55.951832 where: bonds (distance) C4'-P energy: -13.220 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -5.477 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: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -76.249413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.249413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.249413 (E_RNA) where: Base-Base interactions energy: -28.317 where: short stacking energy: -28.317 Base-Backbone interact. energy: -0.010 local terms energy: -47.922423 where: bonds (distance) C4'-P energy: -9.637 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -71.931174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.931174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.931174 (E_RNA) where: Base-Base interactions energy: -22.683 where: short stacking energy: -22.683 Base-Backbone interact. energy: -0.145 local terms energy: -49.102344 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -7.591 tors. eta vs tors. theta energy: -3.875 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: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -223.748431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.748431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.748431 (E_RNA) where: Base-Base interactions energy: -152.355 where: short stacking energy: -66.110 Base-Backbone interact. energy: -0.625 local terms energy: -70.767748 where: bonds (distance) C4'-P energy: -16.096 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -16.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -217.404088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.404088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.404088 (E_RNA) where: Base-Base interactions energy: -151.402 where: short stacking energy: -61.718 Base-Backbone interact. energy: -0.129 local terms energy: -65.873957 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -11.192 tors. eta vs tors. theta energy: -16.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -206.910338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.910338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.910338 (E_RNA) where: Base-Base interactions energy: -134.828 where: short stacking energy: -63.091 Base-Backbone interact. energy: -0.001 local terms energy: -72.081130 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -13.684 flat angles P-C4'-P energy: -9.056 tors. eta vs tors. theta energy: -20.134 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: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -198.326699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.326699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.326699 (E_RNA) where: Base-Base interactions energy: -139.755 where: short stacking energy: -56.779 Base-Backbone interact. energy: -0.070 local terms energy: -58.501905 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -10.829 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -15.827 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: 2 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -211.553968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.553968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.553968 (E_RNA) where: Base-Base interactions energy: -144.879 where: short stacking energy: -56.967 Base-Backbone interact. energy: -0.743 local terms energy: -65.931284 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -16.396 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -15.542 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: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -203.581755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.581755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.581755 (E_RNA) where: Base-Base interactions energy: -136.122 where: short stacking energy: -55.321 Base-Backbone interact. energy: -0.769 local terms energy: -66.689948 where: bonds (distance) C4'-P energy: -12.339 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -14.897 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -13.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -202.623462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.623462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.623462 (E_RNA) where: Base-Base interactions energy: -142.580 where: short stacking energy: -65.073 Base-Backbone interact. energy: -0.009 local terms energy: -60.034828 where: bonds (distance) C4'-P energy: -6.190 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -21.284 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: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -78.389336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.389336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.389336 (E_RNA) where: Base-Base interactions energy: -33.400 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.229 local terms energy: -44.760186 where: bonds (distance) C4'-P energy: -9.733 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -83.094645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.094645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.094645 (E_RNA) where: Base-Base interactions energy: -40.960 where: short stacking energy: -17.089 Base-Backbone interact. energy: -0.250 local terms energy: -41.884868 where: bonds (distance) C4'-P energy: -11.499 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: 1.247 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: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -69.240430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.240430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.240430 (E_RNA) where: Base-Base interactions energy: -26.561 where: short stacking energy: -17.568 Base-Backbone interact. energy: -0.317 local terms energy: -42.362769 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -10.477 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -218.075990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.075990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.075990 (E_RNA) where: Base-Base interactions energy: -149.105 where: short stacking energy: -64.818 Base-Backbone interact. energy: -0.004 local terms energy: -68.966771 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -18.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -219.879258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.879258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.879258 (E_RNA) where: Base-Base interactions energy: -151.196 where: short stacking energy: -71.561 Base-Backbone interact. energy: -0.615 local terms energy: -68.068177 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -10.117 flat angles C4'-P-C4' energy: -13.661 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -21.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -202.269144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.269144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.269144 (E_RNA) where: Base-Base interactions energy: -133.900 where: short stacking energy: -55.521 Base-Backbone interact. energy: 0.193 local terms energy: -68.562840 where: bonds (distance) C4'-P energy: -15.528 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -13.310 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -14.827 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: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -210.024679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.024679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.024679 (E_RNA) where: Base-Base interactions energy: -142.563 where: short stacking energy: -60.078 Base-Backbone interact. energy: -0.025 local terms energy: -67.436590 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: -17.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -219.465129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.465129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.465129 (E_RNA) where: Base-Base interactions energy: -151.063 where: short stacking energy: -65.299 Base-Backbone interact. energy: 0.117 local terms energy: -68.518253 where: bonds (distance) C4'-P energy: -12.085 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -11.914 tors. eta vs tors. theta energy: -18.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -204.707328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.707328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.707328 (E_RNA) where: Base-Base interactions energy: -139.770 where: short stacking energy: -55.777 Base-Backbone interact. energy: -0.095 local terms energy: -64.842199 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -11.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -203.341891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.341891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.341891 (E_RNA) where: Base-Base interactions energy: -136.349 where: short stacking energy: -58.438 Base-Backbone interact. energy: -0.014 local terms energy: -66.978983 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -10.663 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -20.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -85.922475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.922475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.922475 (E_RNA) where: Base-Base interactions energy: -29.643 where: short stacking energy: -28.178 Base-Backbone interact. energy: -0.004 local terms energy: -56.274858 where: bonds (distance) C4'-P energy: -11.551 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -11.382 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -7.479 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: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -77.109797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.109797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.109797 (E_RNA) where: Base-Base interactions energy: -39.048 where: short stacking energy: -24.247 Base-Backbone interact. energy: -0.230 local terms energy: -37.831896 where: bonds (distance) C4'-P energy: -7.680 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -11.818 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: 0.629 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: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -77.087776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.087776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.087776 (E_RNA) where: Base-Base interactions energy: -28.239 where: short stacking energy: -28.239 Base-Backbone interact. energy: 0.973 local terms energy: -49.822372 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -10.728 flat angles C4'-P-C4' energy: -13.914 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -3.812 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: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -224.500906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.500906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.500906 (E_RNA) where: Base-Base interactions energy: -150.890 where: short stacking energy: -64.177 Base-Backbone interact. energy: -0.001 local terms energy: -73.610586 where: bonds (distance) C4'-P energy: -15.981 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -16.298 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -17.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -217.441780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.441780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.441780 (E_RNA) where: Base-Base interactions energy: -150.965 where: short stacking energy: -65.160 Base-Backbone interact. energy: -0.092 local terms energy: -66.384488 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -10.769 flat angles C4'-P-C4' energy: -16.179 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -17.860 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: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -200.417435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.417435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.417435 (E_RNA) where: Base-Base interactions energy: -133.844 where: short stacking energy: -57.298 Base-Backbone interact. energy: 0.065 local terms energy: -66.637994 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -13.591 flat angles P-C4'-P energy: -8.568 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: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -214.615285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.615285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.615285 (E_RNA) where: Base-Base interactions energy: -144.045 where: short stacking energy: -64.066 Base-Backbone interact. energy: -0.010 local terms energy: -70.559778 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -12.865 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -9.017 tors. eta vs tors. theta energy: -20.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -209.452784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.452784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.452784 (E_RNA) where: Base-Base interactions energy: -138.862 where: short stacking energy: -65.778 Base-Backbone interact. energy: -0.609 local terms energy: -69.981065 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -19.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -195.846065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.846065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.846065 (E_RNA) where: Base-Base interactions energy: -134.858 where: short stacking energy: -49.215 Base-Backbone interact. energy: -0.217 local terms energy: -60.770347 where: bonds (distance) C4'-P energy: -13.596 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -9.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -196.782130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.782130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.782130 (E_RNA) where: Base-Base interactions energy: -137.940 where: short stacking energy: -55.191 Base-Backbone interact. energy: -0.045 local terms energy: -58.797577 where: bonds (distance) C4'-P energy: -10.764 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -11.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -80.371249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.371249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.371249 (E_RNA) where: Base-Base interactions energy: -36.795 where: short stacking energy: -36.025 Base-Backbone interact. energy: 2.039 local terms energy: -45.615913 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -16.374 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -80.514093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.514093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.514093 (E_RNA) where: Base-Base interactions energy: -38.068 where: short stacking energy: -38.063 Base-Backbone interact. energy: -0.224 local terms energy: -42.221241 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -0.920 tors. eta vs tors. theta energy: -7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -77.366318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.366318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.366318 (E_RNA) where: Base-Base interactions energy: -32.827 where: short stacking energy: -29.430 Base-Backbone interact. energy: -0.174 local terms energy: -44.365338 where: bonds (distance) C4'-P energy: -10.148 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -216.666584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.666584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.666584 (E_RNA) where: Base-Base interactions energy: -149.092 where: short stacking energy: -60.850 Base-Backbone interact. energy: 0.678 local terms energy: -68.252479 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -15.861 flat angles P-C4'-P energy: -11.109 tors. eta vs tors. theta energy: -16.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -228.571322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.571322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.571322 (E_RNA) where: Base-Base interactions energy: -154.126 where: short stacking energy: -68.606 Base-Backbone interact. energy: -0.412 local terms energy: -74.033055 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -16.444 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -17.554 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: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -215.486032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.486032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.486032 (E_RNA) where: Base-Base interactions energy: -148.515 where: short stacking energy: -66.402 Base-Backbone interact. energy: -0.487 local terms energy: -66.483326 where: bonds (distance) C4'-P energy: -10.856 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -10.766 tors. eta vs tors. theta energy: -20.148 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: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -197.026038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.026038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.026038 (E_RNA) where: Base-Base interactions energy: -130.893 where: short stacking energy: -56.605 Base-Backbone interact. energy: -0.087 local terms energy: -66.046965 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -14.416 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -17.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -209.710830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.710830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.710830 (E_RNA) where: Base-Base interactions energy: -141.820 where: short stacking energy: -58.470 Base-Backbone interact. energy: -0.039 local terms energy: -67.851583 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -15.241 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -16.277 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: 6, replica: 8 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -198.155792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.155792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.155792 (E_RNA) where: Base-Base interactions energy: -132.938 where: short stacking energy: -58.461 Base-Backbone interact. energy: -0.058 local terms energy: -65.159660 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -16.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -194.317199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.317199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.317199 (E_RNA) where: Base-Base interactions energy: -133.622 where: short stacking energy: -56.846 Base-Backbone interact. energy: -0.365 local terms energy: -60.330864 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -13.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -92.656876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.656876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.656876 (E_RNA) where: Base-Base interactions energy: -40.187 where: short stacking energy: -37.337 Base-Backbone interact. energy: 0.879 local terms energy: -53.349683 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -12.010 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -72.645780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.645780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.645780 (E_RNA) where: Base-Base interactions energy: -29.232 where: short stacking energy: -29.232 Base-Backbone interact. energy: -0.238 local terms energy: -43.175463 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -9.967 flat angles P-C4'-P energy: 0.019 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -75.790493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.790493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.790493 (E_RNA) where: Base-Base interactions energy: -24.280 where: short stacking energy: -16.743 Base-Backbone interact. energy: -0.183 local terms energy: -51.326974 where: bonds (distance) C4'-P energy: -15.216 bonds (distance) P-C4' energy: -15.438 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -1.993 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: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -220.918778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.918778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.918778 (E_RNA) where: Base-Base interactions energy: -151.036 where: short stacking energy: -63.466 Base-Backbone interact. energy: -0.003 local terms energy: -69.879473 where: bonds (distance) C4'-P energy: -15.325 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -9.697 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -17.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -219.829698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.829698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.829698 (E_RNA) where: Base-Base interactions energy: -151.076 where: short stacking energy: -62.912 Base-Backbone interact. energy: -0.091 local terms energy: -68.662500 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -17.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -216.552401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.552401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.552401 (E_RNA) where: Base-Base interactions energy: -148.511 where: short stacking energy: -66.915 Base-Backbone interact. energy: -0.072 local terms energy: -67.969496 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -16.362 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -18.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -209.859464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.859464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.859464 (E_RNA) where: Base-Base interactions energy: -144.565 where: short stacking energy: -64.424 Base-Backbone interact. energy: -0.016 local terms energy: -65.278056 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -11.441 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -18.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -193.461205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.461205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.461205 (E_RNA) where: Base-Base interactions energy: -129.053 where: short stacking energy: -59.122 Base-Backbone interact. energy: -0.008 local terms energy: -64.400274 where: bonds (distance) C4'-P energy: -10.889 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -11.089 tors. eta vs tors. theta energy: -15.273 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: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -206.728176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.728176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.728176 (E_RNA) where: Base-Base interactions energy: -143.956 where: short stacking energy: -60.554 Base-Backbone interact. energy: -0.555 local terms energy: -62.217511 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: -14.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -199.023481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.023481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.023481 (E_RNA) where: Base-Base interactions energy: -133.770 where: short stacking energy: -57.491 Base-Backbone interact. energy: -0.013 local terms energy: -65.240689 where: bonds (distance) C4'-P energy: -10.901 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -12.925 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: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -78.200543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.200543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.200543 (E_RNA) where: Base-Base interactions energy: -29.792 where: short stacking energy: -22.632 Base-Backbone interact. energy: -0.141 local terms energy: -48.267839 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -12.643 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: 0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -79.761407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.761407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.761407 (E_RNA) where: Base-Base interactions energy: -32.194 where: short stacking energy: -26.097 Base-Backbone interact. energy: -0.362 local terms energy: -47.205452 where: bonds (distance) C4'-P energy: -14.515 bonds (distance) P-C4' energy: -8.127 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -89.309933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.309933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.309933 (E_RNA) where: Base-Base interactions energy: -39.255 where: short stacking energy: -33.212 Base-Backbone interact. energy: -0.498 local terms energy: -49.556097 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -5.104 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: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -223.348407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.348407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.348407 (E_RNA) where: Base-Base interactions energy: -151.605 where: short stacking energy: -69.154 Base-Backbone interact. energy: -0.001 local terms energy: -71.742962 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -13.372 flat angles C4'-P-C4' energy: -14.071 flat angles P-C4'-P energy: -12.569 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: 2, replica: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -218.696183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.696183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.696183 (E_RNA) where: Base-Base interactions energy: -145.564 where: short stacking energy: -67.466 Base-Backbone interact. energy: -0.608 local terms energy: -72.523751 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -216.593894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.593894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.593894 (E_RNA) where: Base-Base interactions energy: -142.514 where: short stacking energy: -61.764 Base-Backbone interact. energy: -0.008 local terms energy: -74.072419 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -19.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -216.414234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.414234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.414234 (E_RNA) where: Base-Base interactions energy: -144.991 where: short stacking energy: -65.781 Base-Backbone interact. energy: -0.779 local terms energy: -70.645045 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -12.643 tors. eta vs tors. theta energy: -18.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -204.806390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.806390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.806390 (E_RNA) where: Base-Base interactions energy: -138.504 where: short stacking energy: -61.826 Base-Backbone interact. energy: -0.004 local terms energy: -66.298836 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -14.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -189.186617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.186617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.186617 (E_RNA) where: Base-Base interactions energy: -122.793 where: short stacking energy: -55.586 Base-Backbone interact. energy: -0.669 local terms energy: -65.724493 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -16.284 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -16.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -197.338705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.338705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.338705 (E_RNA) where: Base-Base interactions energy: -136.603 where: short stacking energy: -58.288 Base-Backbone interact. energy: -0.089 local terms energy: -60.646635 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -11.299 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -15.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -75.800654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.800654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.800654 (E_RNA) where: Base-Base interactions energy: -37.918 where: short stacking energy: -27.539 Base-Backbone interact. energy: -0.311 local terms energy: -37.571534 where: bonds (distance) C4'-P energy: -13.128 bonds (distance) P-C4' energy: -9.680 flat angles C4'-P-C4' energy: -10.832 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -0.617 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: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -87.931882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.931882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.931882 (E_RNA) where: Base-Base interactions energy: -50.718 where: short stacking energy: -36.597 Base-Backbone interact. energy: 2.002 local terms energy: -39.216266 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -3.314 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: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -71.808179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.808179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.808179 (E_RNA) where: Base-Base interactions energy: -24.374 where: short stacking energy: -24.374 Base-Backbone interact. energy: -0.080 local terms energy: -47.354283 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -14.130 flat angles C4'-P-C4' energy: -9.599 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -1.255 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: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -224.922597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.922597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.922597 (E_RNA) where: Base-Base interactions energy: -148.638 where: short stacking energy: -67.252 Base-Backbone interact. energy: -0.101 local terms energy: -76.184372 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -12.009 tors. eta vs tors. theta energy: -21.007 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: 207 Temperature: 0.950000 Total energy: -219.667444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.667444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.667444 (E_RNA) where: Base-Base interactions energy: -145.393 where: short stacking energy: -69.435 Base-Backbone interact. energy: -2.832 local terms energy: -71.442276 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -15.375 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -20.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -215.912231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.912231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.912231 (E_RNA) where: Base-Base interactions energy: -141.587 where: short stacking energy: -66.149 Base-Backbone interact. energy: -0.097 local terms energy: -74.229042 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -16.236 flat angles C4'-P-C4' energy: -16.253 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -18.085 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: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -213.212309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.212309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.212309 (E_RNA) where: Base-Base interactions energy: -142.995 where: short stacking energy: -68.689 Base-Backbone interact. energy: -0.006 local terms energy: -70.210629 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -9.078 tors. eta vs tors. theta energy: -20.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -201.828395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.828395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.828395 (E_RNA) where: Base-Base interactions energy: -141.188 where: short stacking energy: -59.996 Base-Backbone interact. energy: -0.030 local terms energy: -60.610296 where: bonds (distance) C4'-P energy: -10.357 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -12.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -202.495576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.495576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.495576 (E_RNA) where: Base-Base interactions energy: -140.285 where: short stacking energy: -58.272 Base-Backbone interact. energy: -0.109 local terms energy: -62.101654 where: bonds (distance) C4'-P energy: -8.391 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -18.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -183.537888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.537888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.537888 (E_RNA) where: Base-Base interactions energy: -120.925 where: short stacking energy: -59.882 Base-Backbone interact. energy: -0.012 local terms energy: -62.601414 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -16.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -85.116709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.116709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.116709 (E_RNA) where: Base-Base interactions energy: -30.832 where: short stacking energy: -27.792 Base-Backbone interact. energy: -0.081 local terms energy: -54.204337 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -13.121 flat angles P-C4'-P energy: -9.158 tors. eta vs tors. theta energy: -2.524 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: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -66.960856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.960856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.960856 (E_RNA) where: Base-Base interactions energy: -23.751 where: short stacking energy: -23.751 Base-Backbone interact. energy: -0.085 local terms energy: -43.125589 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -13.530 flat angles C4'-P-C4' energy: -9.557 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -83.871507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.871507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.871507 (E_RNA) where: Base-Base interactions energy: -35.215 where: short stacking energy: -31.868 Base-Backbone interact. energy: -0.228 local terms energy: -48.428151 where: bonds (distance) C4'-P energy: -7.304 bonds (distance) P-C4' energy: -15.086 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -7.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -216.703166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.703166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.703166 (E_RNA) where: Base-Base interactions energy: -144.140 where: short stacking energy: -67.806 Base-Backbone interact. energy: -0.073 local terms energy: -72.489831 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -12.040 tors. eta vs tors. theta energy: -17.944 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: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -217.013471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.013471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.013471 (E_RNA) where: Base-Base interactions energy: -145.858 where: short stacking energy: -61.881 Base-Backbone interact. energy: -1.174 local terms energy: -69.981214 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -15.734 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -20.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -217.377322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.377322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.377322 (E_RNA) where: Base-Base interactions energy: -148.901 where: short stacking energy: -68.750 Base-Backbone interact. energy: -0.005 local terms energy: -68.471724 where: bonds (distance) C4'-P energy: -15.099 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -10.639 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -19.160 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: 4, replica: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -207.531268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.531268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.531268 (E_RNA) where: Base-Base interactions energy: -143.168 where: short stacking energy: -60.302 Base-Backbone interact. energy: -0.341 local terms energy: -64.021958 where: bonds (distance) C4'-P energy: -10.511 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -17.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -205.472523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.472523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.472523 (E_RNA) where: Base-Base interactions energy: -138.482 where: short stacking energy: -58.893 Base-Backbone interact. energy: -0.126 local terms energy: -66.865164 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -10.536 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -198.476037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.476037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.476037 (E_RNA) where: Base-Base interactions energy: -133.232 where: short stacking energy: -63.014 Base-Backbone interact. energy: -0.026 local terms energy: -65.218309 where: bonds (distance) C4'-P energy: -10.297 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -18.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -193.133288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.133288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.133288 (E_RNA) where: Base-Base interactions energy: -138.210 where: short stacking energy: -58.424 Base-Backbone interact. energy: -0.053 local terms energy: -54.870207 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -9.261 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -14.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -85.379750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.379750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.379750 (E_RNA) where: Base-Base interactions energy: -39.079 where: short stacking energy: -21.685 Base-Backbone interact. energy: -0.321 local terms energy: -45.979414 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -84.069090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.069090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.069090 (E_RNA) where: Base-Base interactions energy: -34.338 where: short stacking energy: -34.338 Base-Backbone interact. energy: 0.479 local terms energy: -50.210442 where: bonds (distance) C4'-P energy: -9.584 bonds (distance) P-C4' energy: -14.270 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -9.611 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: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -74.377147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.377147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.377147 (E_RNA) where: Base-Base interactions energy: -27.191 where: short stacking energy: -27.180 Base-Backbone interact. energy: -0.403 local terms energy: -46.782861 where: bonds (distance) C4'-P energy: -9.925 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -15.886 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -218.641082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.641082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.641082 (E_RNA) where: Base-Base interactions energy: -138.191 where: short stacking energy: -61.553 Base-Backbone interact. energy: -0.089 local terms energy: -80.360667 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -13.823 tors. eta vs tors. theta energy: -19.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -218.445916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.445916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.445916 (E_RNA) where: Base-Base interactions energy: -145.603 where: short stacking energy: -61.986 Base-Backbone interact. energy: -0.162 local terms energy: -72.680144 where: bonds (distance) C4'-P energy: -14.527 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -15.248 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -20.645 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: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -213.260654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.260654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.260654 (E_RNA) where: Base-Base interactions energy: -140.756 where: short stacking energy: -63.290 Base-Backbone interact. energy: -0.002 local terms energy: -72.503121 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -20.142 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: 209 Temperature: 1.050000 Total energy: -208.838980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.838980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.838980 (E_RNA) where: Base-Base interactions energy: -139.709 where: short stacking energy: -62.301 Base-Backbone interact. energy: -0.090 local terms energy: -69.039848 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -18.857 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: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -211.430655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.430655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.430655 (E_RNA) where: Base-Base interactions energy: -141.282 where: short stacking energy: -66.737 Base-Backbone interact. energy: -0.316 local terms energy: -69.832083 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -20.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -190.344704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.344704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.344704 (E_RNA) where: Base-Base interactions energy: -124.678 where: short stacking energy: -57.723 Base-Backbone interact. energy: -0.002 local terms energy: -65.664146 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -17.179 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: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -195.373080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.373080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.373080 (E_RNA) where: Base-Base interactions energy: -129.579 where: short stacking energy: -59.719 Base-Backbone interact. energy: -0.003 local terms energy: -65.791302 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -18.338 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: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -93.492884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.492884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.492884 (E_RNA) where: Base-Base interactions energy: -39.634 where: short stacking energy: -31.744 Base-Backbone interact. energy: -0.098 local terms energy: -53.761463 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -13.706 flat angles C4'-P-C4' energy: -12.404 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -7.602 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: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -70.834751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.834751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.834751 (E_RNA) where: Base-Base interactions energy: -22.660 where: short stacking energy: -22.660 Base-Backbone interact. energy: -0.056 local terms energy: -48.118286 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -75.537662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.537662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.537662 (E_RNA) where: Base-Base interactions energy: -28.413 where: short stacking energy: -28.413 Base-Backbone interact. energy: -0.780 local terms energy: -46.344552 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -3.609 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: 1, replica: 7 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -223.955696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.955696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.955696 (E_RNA) where: Base-Base interactions energy: -152.237 where: short stacking energy: -65.522 Base-Backbone interact. energy: -0.003 local terms energy: -71.715735 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -11.809 tors. eta vs tors. theta energy: -18.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -217.723310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.723310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.723310 (E_RNA) where: Base-Base interactions energy: -147.668 where: short stacking energy: -67.128 Base-Backbone interact. energy: -0.796 local terms energy: -69.258827 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -10.347 flat angles C4'-P-C4' energy: -16.975 flat angles P-C4'-P energy: -10.608 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: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -212.493435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.493435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.493435 (E_RNA) where: Base-Base interactions energy: -142.488 where: short stacking energy: -66.041 Base-Backbone interact. energy: -0.000 local terms energy: -70.004698 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -15.513 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -19.629 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: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -201.518978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.518978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.518978 (E_RNA) where: Base-Base interactions energy: -145.417 where: short stacking energy: -58.441 Base-Backbone interact. energy: -0.112 local terms energy: -55.989766 where: bonds (distance) C4'-P energy: -10.312 bonds (distance) P-C4' energy: -11.888 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -14.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -208.392249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.392249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.392249 (E_RNA) where: Base-Base interactions energy: -141.412 where: short stacking energy: -63.415 Base-Backbone interact. energy: -0.221 local terms energy: -66.759914 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -11.597 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -12.956 tors. eta vs tors. theta energy: -18.349 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: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -191.973510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.973510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.973510 (E_RNA) where: Base-Base interactions energy: -125.176 where: short stacking energy: -57.657 Base-Backbone interact. energy: -0.147 local terms energy: -66.650363 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -17.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -197.159150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.159150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.159150 (E_RNA) where: Base-Base interactions energy: -133.550 where: short stacking energy: -57.763 Base-Backbone interact. energy: -0.002 local terms energy: -63.606397 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -18.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -80.650413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.650413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.650413 (E_RNA) where: Base-Base interactions energy: -30.078 where: short stacking energy: -28.816 Base-Backbone interact. energy: -0.588 local terms energy: -49.984319 where: bonds (distance) C4'-P energy: -12.980 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -9.618 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -70.878328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.878328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.878328 (E_RNA) where: Base-Base interactions energy: -26.481 where: short stacking energy: -25.618 Base-Backbone interact. energy: -0.172 local terms energy: -44.225428 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -11.051 tors. eta vs tors. theta energy: 1.054 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: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -67.283725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.283725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.283725 (E_RNA) where: Base-Base interactions energy: -28.933 where: short stacking energy: -24.297 Base-Backbone interact. energy: -0.258 local terms energy: -38.092551 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -9.482 flat angles C4'-P-C4' energy: -9.298 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -225.866989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.866989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.866989 (E_RNA) where: Base-Base interactions energy: -152.519 where: short stacking energy: -70.288 Base-Backbone interact. energy: 0.652 local terms energy: -73.999395 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -15.424 flat angles P-C4'-P energy: -11.319 tors. eta vs tors. theta energy: -19.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -222.749616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.749616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.749616 (E_RNA) where: Base-Base interactions energy: -151.893 where: short stacking energy: -66.169 Base-Backbone interact. energy: -0.233 local terms energy: -70.623501 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -12.799 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -217.881854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.881854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.881854 (E_RNA) where: Base-Base interactions energy: -146.263 where: short stacking energy: -59.364 Base-Backbone interact. energy: -0.473 local terms energy: -71.146359 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -14.786 flat angles P-C4'-P energy: -11.101 tors. eta vs tors. theta energy: -17.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -216.946131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.946131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.946131 (E_RNA) where: Base-Base interactions energy: -148.902 where: short stacking energy: -62.654 Base-Backbone interact. energy: -0.701 local terms energy: -67.343190 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -9.912 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -200.932384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.932384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.932384 (E_RNA) where: Base-Base interactions energy: -136.826 where: short stacking energy: -54.986 Base-Backbone interact. energy: -0.675 local terms energy: -63.431759 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -9.555 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -16.358 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: 6, replica: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -200.248739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.248739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.248739 (E_RNA) where: Base-Base interactions energy: -131.318 where: short stacking energy: -59.351 Base-Backbone interact. energy: -0.053 local terms energy: -68.877990 where: bonds (distance) C4'-P energy: -14.768 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -11.529 tors. eta vs tors. theta energy: -16.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -190.723096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.723096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.723096 (E_RNA) where: Base-Base interactions energy: -129.096 where: short stacking energy: -52.838 Base-Backbone interact. energy: -0.342 local terms energy: -61.285362 where: bonds (distance) C4'-P energy: -9.526 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -9.422 tors. eta vs tors. theta energy: -14.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -83.243009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.243009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.243009 (E_RNA) where: Base-Base interactions energy: -30.684 where: short stacking energy: -30.884 Base-Backbone interact. energy: 0.355 local terms energy: -52.913479 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -12.006 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -5.697 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: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -84.773126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.773126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.773126 (E_RNA) where: Base-Base interactions energy: -35.665 where: short stacking energy: -30.597 Base-Backbone interact. energy: 0.340 local terms energy: -49.448601 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -11.579 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -4.338 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: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -82.282621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.282621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.282621 (E_RNA) where: Base-Base interactions energy: -35.559 where: short stacking energy: -31.938 Base-Backbone interact. energy: -0.011 local terms energy: -46.712152 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -9.275 flat angles P-C4'-P energy: -5.101 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: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -222.789961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.789961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.789961 (E_RNA) where: Base-Base interactions energy: -146.042 where: short stacking energy: -64.603 Base-Backbone interact. energy: -0.005 local terms energy: -76.742751 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -14.712 flat angles C4'-P-C4' energy: -12.480 flat angles P-C4'-P energy: -13.113 tors. eta vs tors. theta energy: -22.031 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: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -225.678978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.678978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.678978 (E_RNA) where: Base-Base interactions energy: -157.099 where: short stacking energy: -65.860 Base-Backbone interact. energy: -0.219 local terms energy: -68.360630 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -12.039 tors. eta vs tors. theta energy: -18.263 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: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -219.238628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.238628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.238628 (E_RNA) where: Base-Base interactions energy: -148.998 where: short stacking energy: -63.548 Base-Backbone interact. energy: -0.000 local terms energy: -70.240419 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -11.682 tors. eta vs tors. theta energy: -19.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -210.092150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.092150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.092150 (E_RNA) where: Base-Base interactions energy: -139.903 where: short stacking energy: -60.870 Base-Backbone interact. energy: -0.003 local terms energy: -70.186173 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -17.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -206.462931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.462931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.462931 (E_RNA) where: Base-Base interactions energy: -147.131 where: short stacking energy: -64.098 Base-Backbone interact. energy: -0.011 local terms energy: -59.320875 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -9.287 flat angles C4'-P-C4' energy: -9.711 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -18.759 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: 212 Temperature: 1.150000 Total energy: -203.185422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.185422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.185422 (E_RNA) where: Base-Base interactions energy: -138.876 where: short stacking energy: -57.767 Base-Backbone interact. energy: -0.048 local terms energy: -64.261886 where: bonds (distance) C4'-P energy: -11.145 bonds (distance) P-C4' energy: -14.126 flat angles C4'-P-C4' energy: -14.837 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -190.804160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.804160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.804160 (E_RNA) where: Base-Base interactions energy: -128.998 where: short stacking energy: -60.786 Base-Backbone interact. energy: -0.145 local terms energy: -61.660667 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -10.710 flat angles P-C4'-P energy: -7.628 tors. eta vs tors. theta energy: -16.551 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: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -81.396212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.396212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.396212 (E_RNA) where: Base-Base interactions energy: -38.945 where: short stacking energy: -18.158 Base-Backbone interact. energy: -1.232 local terms energy: -41.218526 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -10.453 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: 1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -78.458164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.458164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.458164 (E_RNA) where: Base-Base interactions energy: -34.104 where: short stacking energy: -33.130 Base-Backbone interact. energy: -0.028 local terms energy: -44.326190 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -11.671 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -90.732898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.732898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.732898 (E_RNA) where: Base-Base interactions energy: -48.220 where: short stacking energy: -27.524 Base-Backbone interact. energy: -0.169 local terms energy: -42.343933 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -2.087 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: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -226.238448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.238448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.238448 (E_RNA) where: Base-Base interactions energy: -154.182 where: short stacking energy: -67.164 Base-Backbone interact. energy: -0.956 local terms energy: -71.099669 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -16.348 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -18.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -218.919971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.919971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.919971 (E_RNA) where: Base-Base interactions energy: -147.408 where: short stacking energy: -66.855 Base-Backbone interact. energy: -0.048 local terms energy: -71.463711 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -19.400 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: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -212.668057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.668057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.668057 (E_RNA) where: Base-Base interactions energy: -142.554 where: short stacking energy: -65.390 Base-Backbone interact. energy: -0.160 local terms energy: -69.953595 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -15.210 flat angles C4'-P-C4' energy: -16.203 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -14.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -212.947151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.947151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.947151 (E_RNA) where: Base-Base interactions energy: -147.085 where: short stacking energy: -66.047 Base-Backbone interact. energy: 0.985 local terms energy: -66.846697 where: bonds (distance) C4'-P energy: -8.699 bonds (distance) P-C4' energy: -13.541 flat angles C4'-P-C4' energy: -16.294 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -17.134 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: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -204.303469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.303469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.303469 (E_RNA) where: Base-Base interactions energy: -139.208 where: short stacking energy: -55.376 Base-Backbone interact. energy: -0.062 local terms energy: -65.033379 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -14.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -204.171224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.171224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.171224 (E_RNA) where: Base-Base interactions energy: -141.460 where: short stacking energy: -61.376 Base-Backbone interact. energy: -0.634 local terms energy: -62.077776 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -12.059 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -9.967 tors. eta vs tors. theta energy: -17.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -185.000362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.000362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.000362 (E_RNA) where: Base-Base interactions energy: -129.110 where: short stacking energy: -56.591 Base-Backbone interact. energy: -0.025 local terms energy: -55.866197 where: bonds (distance) C4'-P energy: -8.955 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -14.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -83.110525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.110525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.110525 (E_RNA) where: Base-Base interactions energy: -35.667 where: short stacking energy: -31.553 Base-Backbone interact. energy: -0.026 local terms energy: -47.417204 where: bonds (distance) C4'-P energy: -13.608 bonds (distance) P-C4' energy: -11.513 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -75.059994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.059994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.059994 (E_RNA) where: Base-Base interactions energy: -27.710 where: short stacking energy: -22.006 Base-Backbone interact. energy: -1.642 local terms energy: -45.708537 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -2.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -71.349015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.349015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.349015 (E_RNA) where: Base-Base interactions energy: -23.546 where: short stacking energy: -23.546 Base-Backbone interact. energy: -0.108 local terms energy: -47.695027 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -13.323 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -9.954 tors. eta vs tors. theta energy: -4.513 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: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -221.468649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.468649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.468649 (E_RNA) where: Base-Base interactions energy: -146.304 where: short stacking energy: -64.418 Base-Backbone interact. energy: -0.238 local terms energy: -74.927448 where: bonds (distance) C4'-P energy: -15.911 bonds (distance) P-C4' energy: -16.306 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -11.858 tors. eta vs tors. theta energy: -18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -214.576834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.576834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.576834 (E_RNA) where: Base-Base interactions energy: -145.899 where: short stacking energy: -57.127 Base-Backbone interact. energy: -0.036 local terms energy: -68.641440 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -217.629489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.629489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.629489 (E_RNA) where: Base-Base interactions energy: -147.692 where: short stacking energy: -60.146 Base-Backbone interact. energy: -0.633 local terms energy: -69.304354 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -11.727 flat angles C4'-P-C4' energy: -14.471 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: -17.484 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: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -211.862381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.862381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.862381 (E_RNA) where: Base-Base interactions energy: -144.085 where: short stacking energy: -62.489 Base-Backbone interact. energy: -0.047 local terms energy: -67.730551 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -16.556 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: 214 Temperature: 1.100000 Total energy: -194.994426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.994426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.994426 (E_RNA) where: Base-Base interactions energy: -130.734 where: short stacking energy: -55.767 Base-Backbone interact. energy: -0.057 local terms energy: -64.203601 where: bonds (distance) C4'-P energy: -15.777 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -12.418 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: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -207.926652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.926652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.926652 (E_RNA) where: Base-Base interactions energy: -142.664 where: short stacking energy: -56.326 Base-Backbone interact. energy: -0.121 local terms energy: -65.141890 where: bonds (distance) C4'-P energy: -13.232 bonds (distance) P-C4' energy: -12.372 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -16.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -177.276893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.276893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.276893 (E_RNA) where: Base-Base interactions energy: -116.948 where: short stacking energy: -51.675 Base-Backbone interact. energy: -0.508 local terms energy: -59.820841 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -9.303 tors. eta vs tors. theta energy: -12.724 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: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -108.351170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.351170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.351170 (E_RNA) where: Base-Base interactions energy: -57.179 where: short stacking energy: -30.195 Base-Backbone interact. energy: -0.668 local terms energy: -50.504276 where: bonds (distance) C4'-P energy: -10.653 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -9.517 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -73.694231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.694231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.694231 (E_RNA) where: Base-Base interactions energy: -33.294 where: short stacking energy: -31.613 Base-Backbone interact. energy: 0.508 local terms energy: -40.907715 where: bonds (distance) C4'-P energy: -8.972 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -2.788 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: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -68.831602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.831602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.831602 (E_RNA) where: Base-Base interactions energy: -27.726 where: short stacking energy: -27.726 Base-Backbone interact. energy: -0.175 local terms energy: -40.930534 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -12.759 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -222.317510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.317510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.317510 (E_RNA) where: Base-Base interactions energy: -150.295 where: short stacking energy: -68.788 Base-Backbone interact. energy: -0.003 local terms energy: -72.020246 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -15.375 flat angles C4'-P-C4' energy: -15.761 flat angles P-C4'-P energy: -11.084 tors. eta vs tors. theta energy: -18.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -215.708879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.708879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.708879 (E_RNA) where: Base-Base interactions energy: -146.266 where: short stacking energy: -64.646 Base-Backbone interact. energy: -2.285 local terms energy: -67.158309 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -11.743 tors. eta vs tors. theta energy: -18.773 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: 215 Temperature: 1.000000 Total energy: -218.244640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.244640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.244640 (E_RNA) where: Base-Base interactions energy: -148.882 where: short stacking energy: -67.422 Base-Backbone interact. energy: -0.076 local terms energy: -69.286383 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -14.644 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -18.520 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: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -212.528753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.528753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.528753 (E_RNA) where: Base-Base interactions energy: -141.952 where: short stacking energy: -61.595 Base-Backbone interact. energy: -0.005 local terms energy: -70.571448 where: bonds (distance) C4'-P energy: -16.498 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -15.141 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -16.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -197.994526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.994526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.994526 (E_RNA) where: Base-Base interactions energy: -142.412 where: short stacking energy: -55.569 Base-Backbone interact. energy: 0.302 local terms energy: -55.884838 where: bonds (distance) C4'-P energy: -13.658 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -11.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -210.475195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.475195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.475195 (E_RNA) where: Base-Base interactions energy: -150.327 where: short stacking energy: -63.955 Base-Backbone interact. energy: -0.001 local terms energy: -60.147060 where: bonds (distance) C4'-P energy: -10.156 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -14.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -176.179858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.179858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.179858 (E_RNA) where: Base-Base interactions energy: -110.554 where: short stacking energy: -44.431 Base-Backbone interact. energy: -0.080 local terms energy: -65.545377 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -15.790 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -12.348 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: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -87.040693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.040693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.040693 (E_RNA) where: Base-Base interactions energy: -35.248 where: short stacking energy: -35.248 Base-Backbone interact. energy: -0.011 local terms energy: -51.782285 where: bonds (distance) C4'-P energy: -10.085 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -7.703 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: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -82.419860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.419860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.419860 (E_RNA) where: Base-Base interactions energy: -33.605 where: short stacking energy: -29.760 Base-Backbone interact. energy: -0.054 local terms energy: -48.761101 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -12.985 flat angles P-C4'-P energy: -10.188 tors. eta vs tors. theta energy: -1.748 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: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -78.851264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.851264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.851264 (E_RNA) where: Base-Base interactions energy: -36.818 where: short stacking energy: -20.849 Base-Backbone interact. energy: -0.213 local terms energy: -41.820451 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -9.575 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -223.375115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.375115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.375115 (E_RNA) where: Base-Base interactions energy: -149.099 where: short stacking energy: -66.157 Base-Backbone interact. energy: -0.822 local terms energy: -73.453498 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -15.737 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -20.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -222.305135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.305135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.305135 (E_RNA) where: Base-Base interactions energy: -146.126 where: short stacking energy: -61.834 Base-Backbone interact. energy: -0.013 local terms energy: -76.165949 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -12.514 tors. eta vs tors. theta energy: -19.022 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: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -215.601612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.601612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.601612 (E_RNA) where: Base-Base interactions energy: -149.594 where: short stacking energy: -65.106 Base-Backbone interact. energy: -0.002 local terms energy: -66.005647 where: bonds (distance) C4'-P energy: -10.190 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -18.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -216.144377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.144377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.144377 (E_RNA) where: Base-Base interactions energy: -148.983 where: short stacking energy: -62.595 Base-Backbone interact. energy: -0.018 local terms energy: -67.143319 where: bonds (distance) C4'-P energy: -12.772 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -18.423 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: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -208.360489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.360489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.360489 (E_RNA) where: Base-Base interactions energy: -136.940 where: short stacking energy: -61.436 Base-Backbone interact. energy: -0.007 local terms energy: -71.412613 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -15.353 flat angles C4'-P-C4' energy: -15.044 flat angles P-C4'-P energy: -11.446 tors. eta vs tors. theta energy: -15.775 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: 216 Temperature: 1.150000 Total energy: -206.021520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.021520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.021520 (E_RNA) where: Base-Base interactions energy: -134.927 where: short stacking energy: -57.971 Base-Backbone interact. energy: -0.010 local terms energy: -71.085103 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -17.114 flat angles P-C4'-P energy: -9.435 tors. eta vs tors. theta energy: -17.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -184.944204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.944204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.944204 (E_RNA) where: Base-Base interactions energy: -114.361 where: short stacking energy: -57.694 Base-Backbone interact. energy: -0.003 local terms energy: -70.580153 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -15.192 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: -18.561 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: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -74.220233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.220233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.220233 (E_RNA) where: Base-Base interactions energy: -33.963 where: short stacking energy: -22.585 Base-Backbone interact. energy: 0.641 local terms energy: -40.897752 where: bonds (distance) C4'-P energy: -11.241 bonds (distance) P-C4' energy: -9.995 flat angles C4'-P-C4' energy: -9.863 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -80.043839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.043839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.043839 (E_RNA) where: Base-Base interactions energy: -28.805 where: short stacking energy: -28.805 Base-Backbone interact. energy: -0.313 local terms energy: -50.925304 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -10.196 flat angles C4'-P-C4' energy: -11.568 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -5.828 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: 216 Temperature: 1.350000 Total energy: -78.535848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.535848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.535848 (E_RNA) where: Base-Base interactions energy: -30.346 where: short stacking energy: -24.086 Base-Backbone interact. energy: -0.007 local terms energy: -48.182843 where: bonds (distance) C4'-P energy: -9.043 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -4.941 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: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -226.359788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.359788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.359788 (E_RNA) where: Base-Base interactions energy: -154.617 where: short stacking energy: -68.666 Base-Backbone interact. energy: -0.325 local terms energy: -71.418177 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -15.116 flat angles P-C4'-P energy: -12.332 tors. eta vs tors. theta energy: -18.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -219.818661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.818661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.818661 (E_RNA) where: Base-Base interactions energy: -142.628 where: short stacking energy: -65.566 Base-Backbone interact. energy: -1.838 local terms energy: -75.352567 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -11.220 tors. eta vs tors. theta energy: -21.085 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: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -220.075184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.075184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.075184 (E_RNA) where: Base-Base interactions energy: -151.405 where: short stacking energy: -66.611 Base-Backbone interact. energy: -0.002 local terms energy: -68.668024 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -13.992 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -18.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -216.419205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.419205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.419205 (E_RNA) where: Base-Base interactions energy: -149.148 where: short stacking energy: -61.334 Base-Backbone interact. energy: -0.089 local terms energy: -67.182345 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -15.961 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -14.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -211.711703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.711703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.711703 (E_RNA) where: Base-Base interactions energy: -143.667 where: short stacking energy: -65.500 Base-Backbone interact. energy: -0.007 local terms energy: -68.038370 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -17.820 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: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -201.717101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.717101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.717101 (E_RNA) where: Base-Base interactions energy: -142.038 where: short stacking energy: -55.622 Base-Backbone interact. energy: -0.338 local terms energy: -59.341121 where: bonds (distance) C4'-P energy: -14.714 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -8.089 tors. eta vs tors. theta energy: -15.253 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: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -189.804130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.804130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.804130 (E_RNA) where: Base-Base interactions energy: -124.919 where: short stacking energy: -58.022 Base-Backbone interact. energy: -0.125 local terms energy: -64.760901 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -16.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -78.789290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.789290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.789290 (E_RNA) where: Base-Base interactions energy: -32.171 where: short stacking energy: -32.171 Base-Backbone interact. energy: -0.024 local terms energy: -46.593953 where: bonds (distance) C4'-P energy: -11.617 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -0.071 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: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -126.993136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.993136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.993136 (E_RNA) where: Base-Base interactions energy: -80.433 where: short stacking energy: -26.897 Base-Backbone interact. energy: -0.100 local terms energy: -46.460291 where: bonds (distance) C4'-P energy: -15.271 bonds (distance) P-C4' energy: -9.542 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -3.483 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: 9 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -74.334791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.334791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.334791 (E_RNA) where: Base-Base interactions energy: -34.480 where: short stacking energy: -34.480 Base-Backbone interact. energy: -0.287 local terms energy: -39.567838 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -218.829010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.829010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.829010 (E_RNA) where: Base-Base interactions energy: -149.249 where: short stacking energy: -67.248 Base-Backbone interact. energy: -0.022 local terms energy: -69.558314 where: bonds (distance) C4'-P energy: -11.475 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -12.460 tors. eta vs tors. theta energy: -17.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -217.318607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.318607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.318607 (E_RNA) where: Base-Base interactions energy: -145.292 where: short stacking energy: -60.806 Base-Backbone interact. energy: -0.852 local terms energy: -71.175129 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -11.606 flat angles C4'-P-C4' energy: -14.501 flat angles P-C4'-P energy: -12.162 tors. eta vs tors. theta energy: -19.367 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: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -216.619513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.619513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.619513 (E_RNA) where: Base-Base interactions energy: -147.819 where: short stacking energy: -63.506 Base-Backbone interact. energy: -0.035 local terms energy: -68.765871 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -15.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -217.018731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.018731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.018731 (E_RNA) where: Base-Base interactions energy: -147.206 where: short stacking energy: -66.076 Base-Backbone interact. energy: -0.036 local terms energy: -69.776422 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -11.568 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -20.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -209.046339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.046339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.046339 (E_RNA) where: Base-Base interactions energy: -141.615 where: short stacking energy: -66.068 Base-Backbone interact. energy: -0.053 local terms energy: -67.378688 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -14.879 flat angles P-C4'-P energy: -7.458 tors. eta vs tors. theta energy: -20.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -203.750673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.750673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.750673 (E_RNA) where: Base-Base interactions energy: -144.243 where: short stacking energy: -63.465 Base-Backbone interact. energy: -0.024 local terms energy: -59.483370 where: bonds (distance) C4'-P energy: -5.904 bonds (distance) P-C4' energy: -11.539 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -18.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -179.700792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.700792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.700792 (E_RNA) where: Base-Base interactions energy: -122.830 where: short stacking energy: -58.641 Base-Backbone interact. energy: -0.345 local terms energy: -56.525996 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -8.825 tors. eta vs tors. theta energy: -15.582 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: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -76.194743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.194743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.194743 (E_RNA) where: Base-Base interactions energy: -24.545 where: short stacking energy: -22.191 Base-Backbone interact. energy: -0.915 local terms energy: -50.735122 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -1.912 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: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -163.166586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.166586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.166586 (E_RNA) where: Base-Base interactions energy: -110.007 where: short stacking energy: -48.557 Base-Backbone interact. energy: -0.035 local terms energy: -53.123764 where: bonds (distance) C4'-P energy: -9.304 bonds (distance) P-C4' energy: -12.277 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -13.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -72.500596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.500596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.500596 (E_RNA) where: Base-Base interactions energy: -29.595 where: short stacking energy: -28.295 Base-Backbone interact. energy: 1.078 local terms energy: -43.983964 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -9.654 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -2.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -224.614662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.614662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.614662 (E_RNA) where: Base-Base interactions energy: -152.319 where: short stacking energy: -68.201 Base-Backbone interact. energy: -0.450 local terms energy: -71.846216 where: bonds (distance) C4'-P energy: -9.962 bonds (distance) P-C4' energy: -16.683 flat angles C4'-P-C4' energy: -16.417 flat angles P-C4'-P energy: -9.840 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: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -210.318423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.318423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.318423 (E_RNA) where: Base-Base interactions energy: -144.295 where: short stacking energy: -67.926 Base-Backbone interact. energy: -0.005 local terms energy: -66.019078 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -12.470 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -19.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -214.493102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.493102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.493102 (E_RNA) where: Base-Base interactions energy: -147.901 where: short stacking energy: -60.299 Base-Backbone interact. energy: -0.241 local terms energy: -66.351441 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -13.771 tors. eta vs tors. theta energy: -15.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -216.058593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.058593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.058593 (E_RNA) where: Base-Base interactions energy: -144.515 where: short stacking energy: -64.299 Base-Backbone interact. energy: -0.646 local terms energy: -70.897241 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -14.647 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -11.089 tors. eta vs tors. theta energy: -18.200 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: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -204.522325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.522325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.522325 (E_RNA) where: Base-Base interactions energy: -145.057 where: short stacking energy: -60.444 Base-Backbone interact. energy: -0.027 local terms energy: -59.437660 where: bonds (distance) C4'-P energy: -9.750 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -16.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -205.723944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.723944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.723944 (E_RNA) where: Base-Base interactions energy: -144.939 where: short stacking energy: -65.038 Base-Backbone interact. energy: -0.025 local terms energy: -60.760389 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -11.013 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -18.255 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: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -178.040337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.040337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.040337 (E_RNA) where: Base-Base interactions energy: -115.794 where: short stacking energy: -49.572 Base-Backbone interact. energy: -0.200 local terms energy: -62.046362 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -7.291 tors. eta vs tors. theta energy: -12.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -166.802585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.802585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.802585 (E_RNA) where: Base-Base interactions energy: -115.262 where: short stacking energy: -47.946 Base-Backbone interact. energy: 0.155 local terms energy: -51.694816 where: bonds (distance) C4'-P energy: -10.078 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -77.486751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.486751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.486751 (E_RNA) where: Base-Base interactions energy: -29.676 where: short stacking energy: -29.676 Base-Backbone interact. energy: -0.065 local terms energy: -47.745756 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -68.343709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.343709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.343709 (E_RNA) where: Base-Base interactions energy: -19.301 where: short stacking energy: -19.075 Base-Backbone interact. energy: -0.287 local terms energy: -48.755035 where: bonds (distance) C4'-P energy: -12.065 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -14.796 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -223.936938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.936938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.936938 (E_RNA) where: Base-Base interactions energy: -147.434 where: short stacking energy: -65.496 Base-Backbone interact. energy: -0.436 local terms energy: -76.066376 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -16.374 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -21.242 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: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -220.849220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.849220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.849220 (E_RNA) where: Base-Base interactions energy: -150.107 where: short stacking energy: -64.370 Base-Backbone interact. energy: -0.035 local terms energy: -70.706988 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -11.069 tors. eta vs tors. theta energy: -18.658 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: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -212.273188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.273188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.273188 (E_RNA) where: Base-Base interactions energy: -140.155 where: short stacking energy: -53.423 Base-Backbone interact. energy: -0.519 local terms energy: -71.599219 where: bonds (distance) C4'-P energy: -13.144 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -12.006 tors. eta vs tors. theta energy: -15.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -216.579510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.579510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.579510 (E_RNA) where: Base-Base interactions energy: -147.940 where: short stacking energy: -65.809 Base-Backbone interact. energy: -0.002 local terms energy: -68.637134 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -212.354732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.354732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.354732 (E_RNA) where: Base-Base interactions energy: -141.046 where: short stacking energy: -61.568 Base-Backbone interact. energy: -0.001 local terms energy: -71.308251 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -15.844 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -19.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -213.873330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.873330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.873330 (E_RNA) where: Base-Base interactions energy: -144.022 where: short stacking energy: -57.199 Base-Backbone interact. energy: -0.076 local terms energy: -69.775177 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -7.981 tors. eta vs tors. theta energy: -16.775 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: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -169.851279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.851279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.851279 (E_RNA) where: Base-Base interactions energy: -113.847 where: short stacking energy: -52.466 Base-Backbone interact. energy: -0.007 local terms energy: -55.997272 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -11.391 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -181.163096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.163096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.163096 (E_RNA) where: Base-Base interactions energy: -122.958 where: short stacking energy: -53.983 Base-Backbone interact. energy: -0.142 local terms energy: -58.062566 where: bonds (distance) C4'-P energy: -8.566 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -8.835 tors. eta vs tors. theta energy: -14.107 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: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -75.481443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.481443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.481443 (E_RNA) where: Base-Base interactions energy: -35.543 where: short stacking energy: -26.598 Base-Backbone interact. energy: -0.659 local terms energy: -39.279458 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -3.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -73.597906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.597906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.597906 (E_RNA) where: Base-Base interactions energy: -25.277 where: short stacking energy: -25.202 Base-Backbone interact. energy: -1.089 local terms energy: -47.232202 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -10.607 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -224.329652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.329652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.329652 (E_RNA) where: Base-Base interactions energy: -153.353 where: short stacking energy: -69.118 Base-Backbone interact. energy: -0.011 local terms energy: -70.965446 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -11.266 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -11.072 tors. eta vs tors. theta energy: -20.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -220.039318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.039318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.039318 (E_RNA) where: Base-Base interactions energy: -146.984 where: short stacking energy: -64.750 Base-Backbone interact. energy: -0.042 local terms energy: -73.013760 where: bonds (distance) C4'-P energy: -10.333 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -11.630 tors. eta vs tors. theta energy: -20.851 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: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -214.862506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.862506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.862506 (E_RNA) where: Base-Base interactions energy: -145.772 where: short stacking energy: -61.992 Base-Backbone interact. energy: -1.194 local terms energy: -67.896271 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -15.459 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: -15.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -204.476986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.476986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.476986 (E_RNA) where: Base-Base interactions energy: -136.733 where: short stacking energy: -61.095 Base-Backbone interact. energy: -0.001 local terms energy: -67.743316 where: bonds (distance) C4'-P energy: -13.451 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -17.433 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: 3 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -208.298239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.298239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.298239 (E_RNA) where: Base-Base interactions energy: -143.441 where: short stacking energy: -60.755 Base-Backbone interact. energy: -0.004 local terms energy: -64.852919 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -17.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -206.412338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.412338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.412338 (E_RNA) where: Base-Base interactions energy: -143.850 where: short stacking energy: -67.778 Base-Backbone interact. energy: -0.018 local terms energy: -62.544037 where: bonds (distance) C4'-P energy: -6.763 bonds (distance) P-C4' energy: -11.199 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -11.075 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: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -181.825440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.825440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.825440 (E_RNA) where: Base-Base interactions energy: -119.212 where: short stacking energy: -56.296 Base-Backbone interact. energy: -0.105 local terms energy: -62.509373 where: bonds (distance) C4'-P energy: -9.476 bonds (distance) P-C4' energy: -14.525 flat angles C4'-P-C4' energy: -14.027 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -15.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -183.830988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.830988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.830988 (E_RNA) where: Base-Base interactions energy: -126.487 where: short stacking energy: -55.326 Base-Backbone interact. energy: -0.093 local terms energy: -57.251383 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -9.357 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -79.917206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.917206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.917206 (E_RNA) where: Base-Base interactions energy: -25.967 where: short stacking energy: -25.967 Base-Backbone interact. energy: -0.173 local terms energy: -53.777406 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -8.442 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -10.291 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: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -74.331156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.331156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.331156 (E_RNA) where: Base-Base interactions energy: -28.012 where: short stacking energy: -28.012 Base-Backbone interact. energy: -0.007 local terms energy: -46.311907 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -3.059 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: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -222.901348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.901348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.901348 (E_RNA) where: Base-Base interactions energy: -147.111 where: short stacking energy: -66.271 Base-Backbone interact. energy: 1.149 local terms energy: -76.938412 where: bonds (distance) C4'-P energy: -16.299 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -12.417 tors. eta vs tors. theta energy: -19.278 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: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -215.104256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.104256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.104256 (E_RNA) where: Base-Base interactions energy: -145.840 where: short stacking energy: -65.132 Base-Backbone interact. energy: -0.003 local terms energy: -69.261407 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -15.822 flat angles P-C4'-P energy: -10.148 tors. eta vs tors. theta energy: -18.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -218.920714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.920714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.920714 (E_RNA) where: Base-Base interactions energy: -148.401 where: short stacking energy: -64.619 Base-Backbone interact. energy: -0.279 local terms energy: -70.240427 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -12.811 tors. eta vs tors. theta energy: -20.503 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: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -210.635198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.635198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.635198 (E_RNA) where: Base-Base interactions energy: -138.474 where: short stacking energy: -55.883 Base-Backbone interact. energy: -0.003 local terms energy: -72.158504 where: bonds (distance) C4'-P energy: -11.103 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -15.355 flat angles P-C4'-P energy: -12.276 tors. eta vs tors. theta energy: -18.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -205.659748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.659748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.659748 (E_RNA) where: Base-Base interactions energy: -145.939 where: short stacking energy: -63.096 Base-Backbone interact. energy: -0.291 local terms energy: -59.429829 where: bonds (distance) C4'-P energy: -9.605 bonds (distance) P-C4' energy: -11.205 flat angles C4'-P-C4' energy: -16.213 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -17.034 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: 222 Temperature: 1.150000 Total energy: -189.738214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.738214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.738214 (E_RNA) where: Base-Base interactions energy: -125.619 where: short stacking energy: -48.804 Base-Backbone interact. energy: -0.089 local terms energy: -64.030549 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -11.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -191.808075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.808075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.808075 (E_RNA) where: Base-Base interactions energy: -128.028 where: short stacking energy: -55.132 Base-Backbone interact. energy: -0.032 local terms energy: -63.747320 where: bonds (distance) C4'-P energy: -13.274 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -15.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -172.254123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.254123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.254123 (E_RNA) where: Base-Base interactions energy: -112.910 where: short stacking energy: -49.894 Base-Backbone interact. energy: -0.192 local terms energy: -59.151702 where: bonds (distance) C4'-P energy: -8.262 bonds (distance) P-C4' energy: -10.742 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -9.278 tors. eta vs tors. theta energy: -15.121 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: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -71.851136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.851136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.851136 (E_RNA) where: Base-Base interactions energy: -26.327 where: short stacking energy: -26.327 Base-Backbone interact. energy: -0.008 local terms energy: -45.516938 where: bonds (distance) C4'-P energy: -15.124 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -9.593 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -70.450344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.450344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.450344 (E_RNA) where: Base-Base interactions energy: -26.052 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.166 local terms energy: -44.232918 where: bonds (distance) C4'-P energy: -9.819 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: 0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -222.171426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.171426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.171426 (E_RNA) where: Base-Base interactions energy: -150.751 where: short stacking energy: -68.168 Base-Backbone interact. energy: -0.003 local terms energy: -71.418162 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -20.334 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: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -220.690593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.690593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.690593 (E_RNA) where: Base-Base interactions energy: -153.294 where: short stacking energy: -70.107 Base-Backbone interact. energy: 1.906 local terms energy: -69.302942 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -11.044 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -11.610 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: 3, replica: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -222.612997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.612997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.612997 (E_RNA) where: Base-Base interactions energy: -150.860 where: short stacking energy: -66.701 Base-Backbone interact. energy: -0.590 local terms energy: -71.163489 where: bonds (distance) C4'-P energy: -14.976 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -16.425 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -17.311 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: 4, replica: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -214.696387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.696387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.696387 (E_RNA) where: Base-Base interactions energy: -147.032 where: short stacking energy: -64.300 Base-Backbone interact. energy: -0.002 local terms energy: -67.662545 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -11.561 tors. eta vs tors. theta energy: -16.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -207.897806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.897806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.897806 (E_RNA) where: Base-Base interactions energy: -144.929 where: short stacking energy: -60.613 Base-Backbone interact. energy: -0.853 local terms energy: -62.115554 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -8.519 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -15.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -177.067704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.067704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.067704 (E_RNA) where: Base-Base interactions energy: -111.586 where: short stacking energy: -51.870 Base-Backbone interact. energy: -0.243 local terms energy: -65.238391 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -15.263 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -16.735 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: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -188.550194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.550194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.550194 (E_RNA) where: Base-Base interactions energy: -126.585 where: short stacking energy: -57.395 Base-Backbone interact. energy: -0.003 local terms energy: -61.962230 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -9.853 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -148.825082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.825082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.825082 (E_RNA) where: Base-Base interactions energy: -92.310 where: short stacking energy: -38.968 Base-Backbone interact. energy: 0.263 local terms energy: -56.778036 where: bonds (distance) C4'-P energy: -10.885 bonds (distance) P-C4' energy: -12.819 flat angles C4'-P-C4' energy: -12.784 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -10.910 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: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -84.972537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.972537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.972537 (E_RNA) where: Base-Base interactions energy: -39.504 where: short stacking energy: -30.476 Base-Backbone interact. energy: -0.160 local terms energy: -45.309345 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -11.105 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -75.334649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.334649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.334649 (E_RNA) where: Base-Base interactions energy: -28.140 where: short stacking energy: -22.304 Base-Backbone interact. energy: -0.348 local terms energy: -46.846156 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -222.964841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.964841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.964841 (E_RNA) where: Base-Base interactions energy: -149.749 where: short stacking energy: -69.008 Base-Backbone interact. energy: -0.000 local terms energy: -73.214951 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -18.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -221.596221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.596221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.596221 (E_RNA) where: Base-Base interactions energy: -149.905 where: short stacking energy: -71.514 Base-Backbone interact. energy: -2.069 local terms energy: -69.622290 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -13.444 flat angles P-C4'-P energy: -9.195 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: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -217.844014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.844014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.844014 (E_RNA) where: Base-Base interactions energy: -146.315 where: short stacking energy: -64.891 Base-Backbone interact. energy: -0.004 local terms energy: -71.524633 where: bonds (distance) C4'-P energy: -11.266 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -10.261 tors. eta vs tors. theta energy: -19.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -215.706132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.706132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.706132 (E_RNA) where: Base-Base interactions energy: -140.260 where: short stacking energy: -62.806 Base-Backbone interact. energy: -0.048 local terms energy: -75.397557 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -12.512 flat angles C4'-P-C4' energy: -16.429 flat angles P-C4'-P energy: -13.337 tors. eta vs tors. theta energy: -19.208 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: 224 Temperature: 1.100000 Total energy: -185.358979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.358979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.358979 (E_RNA) where: Base-Base interactions energy: -125.947 where: short stacking energy: -43.724 Base-Backbone interact. energy: -0.041 local terms energy: -59.371427 where: bonds (distance) C4'-P energy: -15.360 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -8.062 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: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -206.621743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.621743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.621743 (E_RNA) where: Base-Base interactions energy: -140.671 where: short stacking energy: -60.594 Base-Backbone interact. energy: -0.275 local terms energy: -65.675485 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -8.782 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -18.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -197.541054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.541054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.541054 (E_RNA) where: Base-Base interactions energy: -136.288 where: short stacking energy: -63.409 Base-Backbone interact. energy: -0.189 local terms energy: -61.063645 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -10.639 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -17.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -117.570811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.570811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.570811 (E_RNA) where: Base-Base interactions energy: -67.508 where: short stacking energy: -37.534 Base-Backbone interact. energy: -0.051 local terms energy: -50.011929 where: bonds (distance) C4'-P energy: -10.872 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: -6.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -78.635534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.635534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.635534 (E_RNA) where: Base-Base interactions energy: -29.276 where: short stacking energy: -28.850 Base-Backbone interact. energy: -0.140 local terms energy: -49.219635 where: bonds (distance) C4'-P energy: -10.329 bonds (distance) P-C4' energy: -12.712 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -6.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -75.746322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.746322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.746322 (E_RNA) where: Base-Base interactions energy: -34.745 where: short stacking energy: -33.720 Base-Backbone interact. energy: -0.203 local terms energy: -40.798589 where: bonds (distance) C4'-P energy: -9.696 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -218.704377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.704377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.704377 (E_RNA) where: Base-Base interactions energy: -146.046 where: short stacking energy: -66.766 Base-Backbone interact. energy: -0.129 local terms energy: -72.529392 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -10.184 tors. eta vs tors. theta energy: -21.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -211.922249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.922249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.922249 (E_RNA) where: Base-Base interactions energy: -141.168 where: short stacking energy: -59.069 Base-Backbone interact. energy: -0.142 local terms energy: -70.612358 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -15.599 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -18.191 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: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -221.438770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.438770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.438770 (E_RNA) where: Base-Base interactions energy: -150.959 where: short stacking energy: -70.664 Base-Backbone interact. energy: -0.100 local terms energy: -70.380249 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -14.193 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -20.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -211.770059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.770059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.770059 (E_RNA) where: Base-Base interactions energy: -149.015 where: short stacking energy: -69.819 Base-Backbone interact. energy: -0.025 local terms energy: -62.730880 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -10.945 flat angles C4'-P-C4' energy: -12.487 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -18.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -201.840297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.840297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.840297 (E_RNA) where: Base-Base interactions energy: -141.192 where: short stacking energy: -64.658 Base-Backbone interact. energy: -0.082 local terms energy: -60.567208 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -14.091 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -6.663 tors. eta vs tors. theta energy: -14.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -193.933868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.933868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.933868 (E_RNA) where: Base-Base interactions energy: -131.775 where: short stacking energy: -61.073 Base-Backbone interact. energy: -0.013 local terms energy: -62.145792 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -10.031 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: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -204.084100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.084100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.084100 (E_RNA) where: Base-Base interactions energy: -136.405 where: short stacking energy: -58.601 Base-Backbone interact. energy: -1.352 local terms energy: -66.326621 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -12.150 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -19.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -124.538174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.538174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.538174 (E_RNA) where: Base-Base interactions energy: -72.187 where: short stacking energy: -37.125 Base-Backbone interact. energy: -0.232 local terms energy: -52.118572 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -15.263 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -70.374565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.374565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.374565 (E_RNA) where: Base-Base interactions energy: -30.606 where: short stacking energy: -22.468 Base-Backbone interact. energy: 1.052 local terms energy: -40.820688 where: bonds (distance) C4'-P energy: -14.482 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -1.965 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: 0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -75.532706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.532706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.532706 (E_RNA) where: Base-Base interactions energy: -28.194 where: short stacking energy: -28.194 Base-Backbone interact. energy: -1.301 local terms energy: -46.037566 where: bonds (distance) C4'-P energy: -8.479 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -10.511 tors. eta vs tors. theta energy: -4.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -215.577972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.577972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.577972 (E_RNA) where: Base-Base interactions energy: -142.685 where: short stacking energy: -65.424 Base-Backbone interact. energy: -0.004 local terms energy: -72.889272 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -12.271 tors. eta vs tors. theta energy: -18.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -215.768324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.768324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.768324 (E_RNA) where: Base-Base interactions energy: -150.170 where: short stacking energy: -63.290 Base-Backbone interact. energy: -0.675 local terms energy: -64.923214 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -18.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -208.403393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.403393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.403393 (E_RNA) where: Base-Base interactions energy: -138.849 where: short stacking energy: -57.598 Base-Backbone interact. energy: -0.291 local terms energy: -69.263115 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -14.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -214.144588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.144588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.144588 (E_RNA) where: Base-Base interactions energy: -146.688 where: short stacking energy: -63.407 Base-Backbone interact. energy: -0.644 local terms energy: -66.812494 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -9.489 flat angles C4'-P-C4' energy: -14.412 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -18.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -210.659558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.659558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.659558 (E_RNA) where: Base-Base interactions energy: -145.704 where: short stacking energy: -65.108 Base-Backbone interact. energy: -0.575 local terms energy: -64.380840 where: bonds (distance) C4'-P energy: -7.954 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -14.454 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -19.875 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: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -192.017453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.017453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.017453 (E_RNA) where: Base-Base interactions energy: -122.331 where: short stacking energy: -62.927 Base-Backbone interact. energy: -0.002 local terms energy: -69.684533 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -13.931 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -16.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -194.096868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.096868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.096868 (E_RNA) where: Base-Base interactions energy: -130.336 where: short stacking energy: -50.888 Base-Backbone interact. energy: -0.020 local terms energy: -63.741208 where: bonds (distance) C4'-P energy: -15.186 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -17.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -121.231521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.231521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.231521 (E_RNA) where: Base-Base interactions energy: -64.307 where: short stacking energy: -37.825 Base-Backbone interact. energy: -0.163 local terms energy: -56.761411 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -10.743 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -80.902031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.902031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.902031 (E_RNA) where: Base-Base interactions energy: -30.562 where: short stacking energy: -28.042 Base-Backbone interact. energy: 1.334 local terms energy: -51.674581 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -16.091 flat angles P-C4'-P energy: -7.970 tors. eta vs tors. theta energy: -3.434 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: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -72.653861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.653861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.653861 (E_RNA) where: Base-Base interactions energy: -27.085 where: short stacking energy: -26.809 Base-Backbone interact. energy: 1.996 local terms energy: -47.564818 where: bonds (distance) C4'-P energy: -9.221 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -10.394 tors. eta vs tors. theta energy: -7.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -211.041105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.041105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.041105 (E_RNA) where: Base-Base interactions energy: -143.678 where: short stacking energy: -62.783 Base-Backbone interact. energy: -0.036 local terms energy: -67.327692 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -14.101 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -17.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -213.079751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.079751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.079751 (E_RNA) where: Base-Base interactions energy: -138.250 where: short stacking energy: -56.398 Base-Backbone interact. energy: -0.243 local terms energy: -74.586438 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -13.315 tors. eta vs tors. theta energy: -17.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -199.165533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.165533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.165533 (E_RNA) where: Base-Base interactions energy: -134.196 where: short stacking energy: -54.441 Base-Backbone interact. energy: -0.391 local terms energy: -64.578343 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -12.719 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: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -208.941507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.941507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.941507 (E_RNA) where: Base-Base interactions energy: -141.176 where: short stacking energy: -64.482 Base-Backbone interact. energy: -0.376 local terms energy: -67.389567 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -19.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -211.470230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.470230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.470230 (E_RNA) where: Base-Base interactions energy: -145.218 where: short stacking energy: -64.621 Base-Backbone interact. energy: -1.108 local terms energy: -65.144190 where: bonds (distance) C4'-P energy: -11.236 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -8.997 tors. eta vs tors. theta energy: -18.720 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: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -204.498341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.498341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.498341 (E_RNA) where: Base-Base interactions energy: -146.003 where: short stacking energy: -56.313 Base-Backbone interact. energy: -0.095 local terms energy: -58.400746 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -11.013 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -13.105 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: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -198.837363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.837363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.837363 (E_RNA) where: Base-Base interactions energy: -129.666 where: short stacking energy: -59.335 Base-Backbone interact. energy: -0.684 local terms energy: -68.486381 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -7.983 tors. eta vs tors. theta energy: -17.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -89.276255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.276255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.276255 (E_RNA) where: Base-Base interactions energy: -43.299 where: short stacking energy: -23.521 Base-Backbone interact. energy: -0.443 local terms energy: -45.533935 where: bonds (distance) C4'-P energy: -9.830 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -77.456787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.456787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.456787 (E_RNA) where: Base-Base interactions energy: -31.386 where: short stacking energy: -23.832 Base-Backbone interact. energy: 2.458 local terms energy: -48.528409 where: bonds (distance) C4'-P energy: -10.873 bonds (distance) P-C4' energy: -13.150 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -70.267688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.267688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.267688 (E_RNA) where: Base-Base interactions energy: -26.829 where: short stacking energy: -21.319 Base-Backbone interact. energy: -0.181 local terms energy: -43.257521 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -14.730 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: 0.001 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: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -221.281833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.281833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.281833 (E_RNA) where: Base-Base interactions energy: -150.206 where: short stacking energy: -66.235 Base-Backbone interact. energy: -0.172 local terms energy: -70.903866 where: bonds (distance) C4'-P energy: -14.531 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -11.419 tors. eta vs tors. theta energy: -16.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -216.450143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.450143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.450143 (E_RNA) where: Base-Base interactions energy: -142.779 where: short stacking energy: -69.509 Base-Backbone interact. energy: -0.003 local terms energy: -73.668778 where: bonds (distance) C4'-P energy: -14.657 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -11.513 flat angles P-C4'-P energy: -12.963 tors. eta vs tors. theta energy: -18.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -213.645409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.645409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.645409 (E_RNA) where: Base-Base interactions energy: -147.578 where: short stacking energy: -63.028 Base-Backbone interact. energy: -0.097 local terms energy: -65.970947 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -7.707 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: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -211.097412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.097412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.097412 (E_RNA) where: Base-Base interactions energy: -147.658 where: short stacking energy: -64.787 Base-Backbone interact. energy: -0.083 local terms energy: -63.356016 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -16.051 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -15.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -196.300164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.300164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.300164 (E_RNA) where: Base-Base interactions energy: -128.897 where: short stacking energy: -60.861 Base-Backbone interact. energy: -0.149 local terms energy: -67.254071 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -19.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -213.808769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.808769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.808769 (E_RNA) where: Base-Base interactions energy: -145.615 where: short stacking energy: -61.532 Base-Backbone interact. energy: -0.584 local terms energy: -67.609340 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -9.387 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: 7, replica: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -94.139553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.139553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.139553 (E_RNA) where: Base-Base interactions energy: -41.428 where: short stacking energy: -41.428 Base-Backbone interact. energy: 0.682 local terms energy: -53.392591 where: bonds (distance) C4'-P energy: -13.803 bonds (distance) P-C4' energy: -10.143 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -168.900427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.900427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.900427 (E_RNA) where: Base-Base interactions energy: -116.846 where: short stacking energy: -47.776 Base-Backbone interact. energy: 0.381 local terms energy: -52.435788 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -8.022 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -8.196 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: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -73.397675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.397675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.397675 (E_RNA) where: Base-Base interactions energy: -20.480 where: short stacking energy: -20.480 Base-Backbone interact. energy: -0.034 local terms energy: -52.883530 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -12.398 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -5.377 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: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -74.920961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.920961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.920961 (E_RNA) where: Base-Base interactions energy: -26.799 where: short stacking energy: -26.799 Base-Backbone interact. energy: -0.849 local terms energy: -47.273773 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -11.924 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -2.999 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -218.227533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.227533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.227533 (E_RNA) where: Base-Base interactions energy: -144.991 where: short stacking energy: -62.272 Base-Backbone interact. energy: -0.077 local terms energy: -73.159904 where: bonds (distance) C4'-P energy: -16.312 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -18.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -222.056092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.056092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.056092 (E_RNA) where: Base-Base interactions energy: -153.788 where: short stacking energy: -68.163 Base-Backbone interact. energy: -0.200 local terms energy: -68.067980 where: bonds (distance) C4'-P energy: -15.288 bonds (distance) P-C4' energy: -13.108 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -19.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -214.385814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.385814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.385814 (E_RNA) where: Base-Base interactions energy: -146.695 where: short stacking energy: -63.519 Base-Backbone interact. energy: -0.124 local terms energy: -67.566906 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -14.841 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -19.266 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: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -201.583281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.583281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.583281 (E_RNA) where: Base-Base interactions energy: -141.091 where: short stacking energy: -52.820 Base-Backbone interact. energy: -0.040 local terms energy: -60.452207 where: bonds (distance) C4'-P energy: -10.673 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -15.420 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: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -201.046455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.046455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.046455 (E_RNA) where: Base-Base interactions energy: -137.013 where: short stacking energy: -58.653 Base-Backbone interact. energy: -0.031 local terms energy: -64.002852 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -9.915 flat angles P-C4'-P energy: -13.754 tors. eta vs tors. theta energy: -12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -198.184784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.184784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.184784 (E_RNA) where: Base-Base interactions energy: -133.292 where: short stacking energy: -54.439 Base-Backbone interact. energy: -0.345 local terms energy: -64.548482 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -12.252 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -17.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -73.946796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.946796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.946796 (E_RNA) where: Base-Base interactions energy: -28.172 where: short stacking energy: -26.310 Base-Backbone interact. energy: -0.142 local terms energy: -45.632828 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -11.225 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: 0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -149.898949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.898949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.898949 (E_RNA) where: Base-Base interactions energy: -93.489 where: short stacking energy: -47.511 Base-Backbone interact. energy: -0.001 local terms energy: -56.408335 where: bonds (distance) C4'-P energy: -8.149 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -7.458 tors. eta vs tors. theta energy: -12.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -67.234383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.234383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.234383 (E_RNA) where: Base-Base interactions energy: -18.740 where: short stacking energy: -16.462 Base-Backbone interact. energy: -0.525 local terms energy: -47.970161 where: bonds (distance) C4'-P energy: -10.298 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -11.069 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -66.171534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.171534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.171534 (E_RNA) where: Base-Base interactions energy: -31.307 where: short stacking energy: -22.590 Base-Backbone interact. energy: -0.117 local terms energy: -34.747980 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -14.248 flat angles C4'-P-C4' energy: -9.807 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: 1.466 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: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -221.210304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.210304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.210304 (E_RNA) where: Base-Base interactions energy: -148.314 where: short stacking energy: -67.710 Base-Backbone interact. energy: -1.910 local terms energy: -70.986056 where: bonds (distance) C4'-P energy: -14.060 bonds (distance) P-C4' energy: -14.330 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -21.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -220.255635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.255635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.255635 (E_RNA) where: Base-Base interactions energy: -156.024 where: short stacking energy: -58.202 Base-Backbone interact. energy: -0.004 local terms energy: -64.227299 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -14.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -211.936631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.936631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.936631 (E_RNA) where: Base-Base interactions energy: -141.414 where: short stacking energy: -60.872 Base-Backbone interact. energy: -0.778 local terms energy: -69.744236 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -17.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -219.548636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.548636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.548636 (E_RNA) where: Base-Base interactions energy: -146.182 where: short stacking energy: -69.393 Base-Backbone interact. energy: -0.009 local terms energy: -73.357962 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -10.224 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: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -206.064054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.064054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.064054 (E_RNA) where: Base-Base interactions energy: -144.255 where: short stacking energy: -62.990 Base-Backbone interact. energy: -0.090 local terms energy: -61.718237 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -12.031 flat angles C4'-P-C4' energy: -12.644 flat angles P-C4'-P energy: -11.562 tors. eta vs tors. theta energy: -16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -207.863415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.863415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.863415 (E_RNA) where: Base-Base interactions energy: -142.910 where: short stacking energy: -55.317 Base-Backbone interact. energy: -0.014 local terms energy: -64.939456 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -15.361 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -16.091 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: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -153.954160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.954160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.954160 (E_RNA) where: Base-Base interactions energy: -105.679 where: short stacking energy: -46.346 Base-Backbone interact. energy: -0.020 local terms energy: -48.255354 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -7.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -72.801886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.801886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.801886 (E_RNA) where: Base-Base interactions energy: -27.726 where: short stacking energy: -26.283 Base-Backbone interact. energy: -0.100 local terms energy: -44.976222 where: bonds (distance) C4'-P energy: -11.620 bonds (distance) P-C4' energy: -14.574 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: -2.837 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: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -72.775581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.775581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.775581 (E_RNA) where: Base-Base interactions energy: -26.735 where: short stacking energy: -26.735 Base-Backbone interact. energy: -0.086 local terms energy: -45.954303 where: bonds (distance) C4'-P energy: -7.945 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -10.307 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -67.639780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.639780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.639780 (E_RNA) where: Base-Base interactions energy: -24.127 where: short stacking energy: -15.897 Base-Backbone interact. energy: -0.206 local terms energy: -43.306787 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -9.460 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: 2.172 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: 231 Temperature: 0.900000 Total energy: -222.664097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.664097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.664097 (E_RNA) where: Base-Base interactions energy: -149.405 where: short stacking energy: -68.514 Base-Backbone interact. energy: 0.743 local terms energy: -74.001632 where: bonds (distance) C4'-P energy: -14.669 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -14.458 flat angles P-C4'-P energy: -10.471 tors. eta vs tors. theta energy: -18.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -219.087153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.087153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.087153 (E_RNA) where: Base-Base interactions energy: -146.723 where: short stacking energy: -66.073 Base-Backbone interact. energy: 0.617 local terms energy: -72.981997 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -10.976 tors. eta vs tors. theta energy: -20.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -216.317249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.317249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.317249 (E_RNA) where: Base-Base interactions energy: -150.098 where: short stacking energy: -69.690 Base-Backbone interact. energy: -0.001 local terms energy: -66.218392 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -12.154 tors. eta vs tors. theta energy: -18.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -210.109704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.109704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.109704 (E_RNA) where: Base-Base interactions energy: -146.005 where: short stacking energy: -61.649 Base-Backbone interact. energy: -0.001 local terms energy: -64.104073 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -8.942 tors. eta vs tors. theta energy: -17.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -208.865443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.865443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.865443 (E_RNA) where: Base-Base interactions energy: -140.433 where: short stacking energy: -58.855 Base-Backbone interact. energy: -0.068 local terms energy: -68.364517 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -8.556 tors. eta vs tors. theta energy: -17.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -205.381069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.381069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.381069 (E_RNA) where: Base-Base interactions energy: -139.518 where: short stacking energy: -63.458 Base-Backbone interact. energy: -1.463 local terms energy: -64.400258 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -10.157 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -17.492 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: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -127.884723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.884723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.884723 (E_RNA) where: Base-Base interactions energy: -68.295 where: short stacking energy: -40.857 Base-Backbone interact. energy: -0.120 local terms energy: -59.470402 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -12.176 tors. eta vs tors. theta energy: -9.601 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: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -83.720577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.720577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.720577 (E_RNA) where: Base-Base interactions energy: -32.001 where: short stacking energy: -26.367 Base-Backbone interact. energy: -0.306 local terms energy: -51.413278 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -75.815374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.815374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.815374 (E_RNA) where: Base-Base interactions energy: -30.068 where: short stacking energy: -30.068 Base-Backbone interact. energy: -0.167 local terms energy: -45.579471 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -12.770 flat angles C4'-P-C4' energy: -9.815 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -80.469290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.469290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.469290 (E_RNA) where: Base-Base interactions energy: -30.652 where: short stacking energy: -25.101 Base-Backbone interact. energy: -0.146 local terms energy: -49.670616 where: bonds (distance) C4'-P energy: -9.116 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -10.571 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -221.550600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.550600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.550600 (E_RNA) where: Base-Base interactions energy: -149.918 where: short stacking energy: -68.031 Base-Backbone interact. energy: -0.024 local terms energy: -71.608381 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -11.414 tors. eta vs tors. theta energy: -17.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -218.162880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.162880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.162880 (E_RNA) where: Base-Base interactions energy: -148.519 where: short stacking energy: -65.282 Base-Backbone interact. energy: -0.213 local terms energy: -69.431514 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -17.144 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -17.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -214.028111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.028111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.028111 (E_RNA) where: Base-Base interactions energy: -138.882 where: short stacking energy: -64.602 Base-Backbone interact. energy: -0.012 local terms energy: -75.134305 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -12.901 tors. eta vs tors. theta energy: -18.212 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: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -211.240697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.240697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.240697 (E_RNA) where: Base-Base interactions energy: -149.126 where: short stacking energy: -63.941 Base-Backbone interact. energy: -0.122 local terms energy: -61.992822 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -9.750 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -18.786 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: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -206.373172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.373172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.373172 (E_RNA) where: Base-Base interactions energy: -146.479 where: short stacking energy: -53.112 Base-Backbone interact. energy: -0.111 local terms energy: -59.782990 where: bonds (distance) C4'-P energy: -11.125 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -10.877 tors. eta vs tors. theta energy: -11.414 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: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -194.067557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.067557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.067557 (E_RNA) where: Base-Base interactions energy: -133.648 where: short stacking energy: -52.151 Base-Backbone interact. energy: -0.706 local terms energy: -59.714060 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -12.072 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -13.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -79.129317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.129317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.129317 (E_RNA) where: Base-Base interactions energy: -38.798 where: short stacking energy: -28.905 Base-Backbone interact. energy: -0.119 local terms energy: -40.212762 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -10.709 flat angles P-C4'-P energy: -5.249 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: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -107.240194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.240194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.240194 (E_RNA) where: Base-Base interactions energy: -54.375 where: short stacking energy: -27.827 Base-Backbone interact. energy: 0.663 local terms energy: -53.528770 where: bonds (distance) C4'-P energy: -16.150 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -75.235555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.235555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.235555 (E_RNA) where: Base-Base interactions energy: -22.845 where: short stacking energy: -22.845 Base-Backbone interact. energy: -0.045 local terms energy: -52.345577 where: bonds (distance) C4'-P energy: -13.799 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -76.580767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.580767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.580767 (E_RNA) where: Base-Base interactions energy: -31.656 where: short stacking energy: -17.470 Base-Backbone interact. energy: -0.191 local terms energy: -44.733662 where: bonds (distance) C4'-P energy: -9.724 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -219.068508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.068508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.068508 (E_RNA) where: Base-Base interactions energy: -147.171 where: short stacking energy: -61.923 Base-Backbone interact. energy: -0.362 local terms energy: -71.534668 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -18.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -219.460396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.460396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.460396 (E_RNA) where: Base-Base interactions energy: -149.913 where: short stacking energy: -66.682 Base-Backbone interact. energy: -0.002 local terms energy: -69.545385 where: bonds (distance) C4'-P energy: -11.551 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -20.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -211.944804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.944804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.944804 (E_RNA) where: Base-Base interactions energy: -139.192 where: short stacking energy: -62.923 Base-Backbone interact. energy: -0.325 local terms energy: -72.427654 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -11.189 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: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -204.990504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.990504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.990504 (E_RNA) where: Base-Base interactions energy: -139.269 where: short stacking energy: -63.335 Base-Backbone interact. energy: -0.216 local terms energy: -65.505044 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -19.358 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: 233 Temperature: 1.100000 Total energy: -212.571221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.571221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.571221 (E_RNA) where: Base-Base interactions energy: -145.879 where: short stacking energy: -69.236 Base-Backbone interact. energy: -0.116 local terms energy: -66.576036 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -18.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -200.566987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.566987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.566987 (E_RNA) where: Base-Base interactions energy: -133.867 where: short stacking energy: -59.985 Base-Backbone interact. energy: -1.007 local terms energy: -65.693160 where: bonds (distance) C4'-P energy: -8.878 bonds (distance) P-C4' energy: -11.779 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -21.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -99.138020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.138020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.138020 (E_RNA) where: Base-Base interactions energy: -47.770 where: short stacking energy: -47.770 Base-Backbone interact. energy: -0.090 local terms energy: -51.277338 where: bonds (distance) C4'-P energy: -7.904 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -11.415 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: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -108.355694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.355694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.355694 (E_RNA) where: Base-Base interactions energy: -62.138 where: short stacking energy: -39.120 Base-Backbone interact. energy: -0.157 local terms energy: -46.060149 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -9.723 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -120.371868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.371868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.371868 (E_RNA) where: Base-Base interactions energy: -67.026 where: short stacking energy: -38.705 Base-Backbone interact. energy: -0.206 local terms energy: -53.139886 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -9.379 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -76.408519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.408519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.408519 (E_RNA) where: Base-Base interactions energy: -28.321 where: short stacking energy: -27.499 Base-Backbone interact. energy: -0.107 local terms energy: -47.980714 where: bonds (distance) C4'-P energy: -10.351 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -214.789368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.789368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.789368 (E_RNA) where: Base-Base interactions energy: -148.770 where: short stacking energy: -66.117 Base-Backbone interact. energy: -0.776 local terms energy: -65.242750 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -16.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -216.109308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.109308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.109308 (E_RNA) where: Base-Base interactions energy: -146.382 where: short stacking energy: -61.019 Base-Backbone interact. energy: -0.015 local terms energy: -69.712685 where: bonds (distance) C4'-P energy: -14.830 bonds (distance) P-C4' energy: -10.271 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -12.262 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -214.835854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.835854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.835854 (E_RNA) where: Base-Base interactions energy: -150.789 where: short stacking energy: -68.443 Base-Backbone interact. energy: -0.003 local terms energy: -64.044169 where: bonds (distance) C4'-P energy: -11.738 bonds (distance) P-C4' energy: -10.083 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -11.346 tors. eta vs tors. theta energy: -17.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -211.715407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.715407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.715407 (E_RNA) where: Base-Base interactions energy: -139.468 where: short stacking energy: -64.680 Base-Backbone interact. energy: -0.002 local terms energy: -72.245375 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -10.735 tors. eta vs tors. theta energy: -19.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -197.835442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.835442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.835442 (E_RNA) where: Base-Base interactions energy: -139.143 where: short stacking energy: -58.905 Base-Backbone interact. energy: -0.023 local terms energy: -58.669489 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -11.336 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: -15.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -206.454228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.454228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.454228 (E_RNA) where: Base-Base interactions energy: -138.719 where: short stacking energy: -65.085 Base-Backbone interact. energy: -0.181 local terms energy: -67.554169 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -14.235 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -17.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -93.332469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.332469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.332469 (E_RNA) where: Base-Base interactions energy: -40.408 where: short stacking energy: -36.521 Base-Backbone interact. energy: -0.363 local terms energy: -52.560937 where: bonds (distance) C4'-P energy: -15.893 bonds (distance) P-C4' energy: -12.153 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -8.474 tors. eta vs tors. theta energy: -5.687 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: 234 Temperature: 1.250000 Total energy: -90.373743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.373743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.373743 (E_RNA) where: Base-Base interactions energy: -37.269 where: short stacking energy: -36.039 Base-Backbone interact. energy: -0.064 local terms energy: -53.040736 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -8.798 flat angles P-C4'-P energy: -11.607 tors. eta vs tors. theta energy: -9.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -80.092451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.092451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.092451 (E_RNA) where: Base-Base interactions energy: -31.715 where: short stacking energy: -28.511 Base-Backbone interact. energy: -0.043 local terms energy: -48.334868 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -10.925 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -5.424 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: 10, replica: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -116.234895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.234895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.234895 (E_RNA) where: Base-Base interactions energy: -69.579 where: short stacking energy: -32.758 Base-Backbone interact. energy: -0.521 local terms energy: -46.135166 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -218.642697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.642697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.642697 (E_RNA) where: Base-Base interactions energy: -150.204 where: short stacking energy: -67.470 Base-Backbone interact. energy: -0.327 local terms energy: -68.111461 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -10.162 tors. eta vs tors. theta energy: -18.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -224.171164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.171164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.171164 (E_RNA) where: Base-Base interactions energy: -148.532 where: short stacking energy: -63.014 Base-Backbone interact. energy: -1.909 local terms energy: -73.730077 where: bonds (distance) C4'-P energy: -16.150 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -17.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -212.733684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.733684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.733684 (E_RNA) where: Base-Base interactions energy: -147.261 where: short stacking energy: -55.339 Base-Backbone interact. energy: -0.426 local terms energy: -65.046549 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -12.431 tors. eta vs tors. theta energy: -13.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -199.414238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.414238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.414238 (E_RNA) where: Base-Base interactions energy: -136.830 where: short stacking energy: -57.651 Base-Backbone interact. energy: -0.175 local terms energy: -62.409006 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -12.074 tors. eta vs tors. theta energy: -15.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -203.096228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.096228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.096228 (E_RNA) where: Base-Base interactions energy: -136.110 where: short stacking energy: -58.351 Base-Backbone interact. energy: -0.262 local terms energy: -66.724330 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -10.993 tors. eta vs tors. theta energy: -19.627 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: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -199.098524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.098524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.098524 (E_RNA) where: Base-Base interactions energy: -139.628 where: short stacking energy: -60.686 Base-Backbone interact. energy: -0.008 local terms energy: -59.462327 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -12.988 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -15.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -155.236711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.236711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.236711 (E_RNA) where: Base-Base interactions energy: -107.581 where: short stacking energy: -48.802 Base-Backbone interact. energy: -0.240 local terms energy: -47.415549 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -10.756 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: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -75.268245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.268245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.268245 (E_RNA) where: Base-Base interactions energy: -36.174 where: short stacking energy: -36.174 Base-Backbone interact. energy: -0.126 local terms energy: -38.968373 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -9.323 flat angles P-C4'-P energy: -7.644 tors. eta vs tors. theta energy: -3.846 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: 4 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -77.390812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.390812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.390812 (E_RNA) where: Base-Base interactions energy: -31.392 where: short stacking energy: -31.392 Base-Backbone interact. energy: -0.089 local terms energy: -45.910726 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -3.907 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: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -64.827975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.827975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.827975 (E_RNA) where: Base-Base interactions energy: -30.235 where: short stacking energy: -22.050 Base-Backbone interact. energy: -0.206 local terms energy: -34.386566 where: bonds (distance) C4'-P energy: -10.466 bonds (distance) P-C4' energy: -8.067 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -8.558 tors. eta vs tors. theta energy: -0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -222.927754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.927754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.927754 (E_RNA) where: Base-Base interactions energy: -153.633 where: short stacking energy: -69.988 Base-Backbone interact. energy: -0.100 local terms energy: -69.194956 where: bonds (distance) C4'-P energy: -15.405 bonds (distance) P-C4' energy: -9.955 flat angles C4'-P-C4' energy: -15.502 flat angles P-C4'-P energy: -9.943 tors. eta vs tors. theta energy: -18.390 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: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -220.626853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.626853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.626853 (E_RNA) where: Base-Base interactions energy: -148.708 where: short stacking energy: -64.037 Base-Backbone interact. energy: -0.322 local terms energy: -71.597537 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -18.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -217.928784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.928784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.928784 (E_RNA) where: Base-Base interactions energy: -151.391 where: short stacking energy: -61.839 Base-Backbone interact. energy: -0.008 local terms energy: -66.529549 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -15.592 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: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -208.101832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.101832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.101832 (E_RNA) where: Base-Base interactions energy: -140.924 where: short stacking energy: -58.688 Base-Backbone interact. energy: -0.198 local terms energy: -66.979898 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -13.360 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -15.620 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: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -202.271271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.271271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.271271 (E_RNA) where: Base-Base interactions energy: -135.603 where: short stacking energy: -60.736 Base-Backbone interact. energy: -0.050 local terms energy: -66.618564 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -10.858 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -18.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -198.955150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.955150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.955150 (E_RNA) where: Base-Base interactions energy: -135.611 where: short stacking energy: -56.905 Base-Backbone interact. energy: -0.005 local terms energy: -63.338852 where: bonds (distance) C4'-P energy: -10.351 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -15.202 flat angles P-C4'-P energy: -11.218 tors. eta vs tors. theta energy: -13.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -152.376623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.376623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.376623 (E_RNA) where: Base-Base interactions energy: -94.264 where: short stacking energy: -39.138 Base-Backbone interact. energy: -0.278 local terms energy: -57.834587 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -9.635 flat angles P-C4'-P energy: -12.375 tors. eta vs tors. theta energy: -6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -74.114766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.114766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.114766 (E_RNA) where: Base-Base interactions energy: -30.865 where: short stacking energy: -30.865 Base-Backbone interact. energy: -0.094 local terms energy: -43.155871 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -3.242 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: 9, replica: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -83.464336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.464336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.464336 (E_RNA) where: Base-Base interactions energy: -37.525 where: short stacking energy: -37.525 Base-Backbone interact. energy: 0.309 local terms energy: -46.248572 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -11.864 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -75.167428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.167428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.167428 (E_RNA) where: Base-Base interactions energy: -32.448 where: short stacking energy: -32.448 Base-Backbone interact. energy: -0.131 local terms energy: -42.588398 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -7.664 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -224.078555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.078555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.078555 (E_RNA) where: Base-Base interactions energy: -152.512 where: short stacking energy: -68.500 Base-Backbone interact. energy: -0.641 local terms energy: -70.926392 where: bonds (distance) C4'-P energy: -13.855 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -15.150 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -17.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -217.252492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.252492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.252492 (E_RNA) where: Base-Base interactions energy: -143.077 where: short stacking energy: -62.446 Base-Backbone interact. energy: -0.031 local terms energy: -74.144467 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -14.715 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -19.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -216.079714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.079714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.079714 (E_RNA) where: Base-Base interactions energy: -143.686 where: short stacking energy: -66.657 Base-Backbone interact. energy: -0.006 local terms energy: -72.387713 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -10.929 tors. eta vs tors. theta energy: -20.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -208.162755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.162755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.162755 (E_RNA) where: Base-Base interactions energy: -136.363 where: short stacking energy: -62.264 Base-Backbone interact. energy: 0.420 local terms energy: -72.220428 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -12.691 tors. eta vs tors. theta energy: -18.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -201.858192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.858192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.858192 (E_RNA) where: Base-Base interactions energy: -138.180 where: short stacking energy: -63.898 Base-Backbone interact. energy: -0.033 local terms energy: -63.645811 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -14.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -200.368739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.368739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.368739 (E_RNA) where: Base-Base interactions energy: -139.555 where: short stacking energy: -54.183 Base-Backbone interact. energy: -0.408 local terms energy: -60.406513 where: bonds (distance) C4'-P energy: -9.478 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -11.387 tors. eta vs tors. theta energy: -12.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -166.455222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.455222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.455222 (E_RNA) where: Base-Base interactions energy: -108.081 where: short stacking energy: -56.471 Base-Backbone interact. energy: 0.286 local terms energy: -58.659869 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -10.366 flat angles C4'-P-C4' energy: -15.382 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -81.853377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.853377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.853377 (E_RNA) where: Base-Base interactions energy: -31.424 where: short stacking energy: -31.424 Base-Backbone interact. energy: -0.144 local terms energy: -50.285398 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -11.273 flat angles C4'-P-C4' energy: -11.656 flat angles P-C4'-P energy: -7.400 tors. eta vs tors. theta energy: -6.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -81.999220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.999220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.999220 (E_RNA) where: Base-Base interactions energy: -37.995 where: short stacking energy: -37.995 Base-Backbone interact. energy: -0.001 local terms energy: -44.003430 where: bonds (distance) C4'-P energy: -10.525 bonds (distance) P-C4' energy: -9.749 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -77.605662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.605662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.605662 (E_RNA) where: Base-Base interactions energy: -32.195 where: short stacking energy: -30.804 Base-Backbone interact. energy: -0.121 local terms energy: -45.289604 where: bonds (distance) C4'-P energy: -9.886 bonds (distance) P-C4' energy: -11.045 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -226.640502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.640502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.640502 (E_RNA) where: Base-Base interactions energy: -157.662 where: short stacking energy: -68.638 Base-Backbone interact. energy: -0.139 local terms energy: -68.839858 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -18.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -215.666208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.666208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.666208 (E_RNA) where: Base-Base interactions energy: -147.809 where: short stacking energy: -61.800 Base-Backbone interact. energy: 0.398 local terms energy: -68.254391 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -14.255 flat angles P-C4'-P energy: -9.619 tors. eta vs tors. theta energy: -18.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -215.847084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.847084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.847084 (E_RNA) where: Base-Base interactions energy: -142.673 where: short stacking energy: -59.488 Base-Backbone interact. energy: -0.023 local terms energy: -73.150869 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -14.680 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -19.453 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: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -212.919948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.919948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.919948 (E_RNA) where: Base-Base interactions energy: -146.503 where: short stacking energy: -65.121 Base-Backbone interact. energy: -0.100 local terms energy: -66.316727 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -11.632 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -9.687 tors. eta vs tors. theta energy: -16.772 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: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -212.731597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.731597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.731597 (E_RNA) where: Base-Base interactions energy: -147.512 where: short stacking energy: -63.296 Base-Backbone interact. energy: 0.479 local terms energy: -65.698695 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: -15.985 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: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -213.677599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.677599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.677599 (E_RNA) where: Base-Base interactions energy: -145.685 where: short stacking energy: -67.968 Base-Backbone interact. energy: -0.003 local terms energy: -67.990151 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -14.179 flat angles P-C4'-P energy: -8.593 tors. eta vs tors. theta energy: -18.960 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: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -194.361446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.361446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.361446 (E_RNA) where: Base-Base interactions energy: -130.911 where: short stacking energy: -52.902 Base-Backbone interact. energy: -0.322 local terms energy: -63.128418 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -12.580 flat angles C4'-P-C4' energy: -16.178 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -14.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -75.399302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.399302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.399302 (E_RNA) where: Base-Base interactions energy: -21.964 where: short stacking energy: -20.916 Base-Backbone interact. energy: -0.015 local terms energy: -53.420171 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -83.913935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.913935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.913935 (E_RNA) where: Base-Base interactions energy: -36.298 where: short stacking energy: -36.298 Base-Backbone interact. energy: -0.026 local terms energy: -47.590441 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -10.006 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -1.730 tors. eta vs tors. theta energy: -8.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -71.714525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.714525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.714525 (E_RNA) where: Base-Base interactions energy: -30.549 where: short stacking energy: -30.549 Base-Backbone interact. energy: -0.100 local terms energy: -41.065315 where: bonds (distance) C4'-P energy: -11.396 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -9.684 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -222.701594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.701594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.701594 (E_RNA) where: Base-Base interactions energy: -150.392 where: short stacking energy: -65.227 Base-Backbone interact. energy: 0.859 local terms energy: -73.168899 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -13.718 tors. eta vs tors. theta energy: -19.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -216.950613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.950613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.950613 (E_RNA) where: Base-Base interactions energy: -145.066 where: short stacking energy: -64.484 Base-Backbone interact. energy: -0.004 local terms energy: -71.880502 where: bonds (distance) C4'-P energy: -11.377 bonds (distance) P-C4' energy: -15.763 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -11.251 tors. eta vs tors. theta energy: -18.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -217.127647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.127647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.127647 (E_RNA) where: Base-Base interactions energy: -148.784 where: short stacking energy: -68.784 Base-Backbone interact. energy: -0.012 local terms energy: -68.331201 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -15.842 flat angles P-C4'-P energy: -7.943 tors. eta vs tors. theta energy: -17.790 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: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -208.445492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.445492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.445492 (E_RNA) where: Base-Base interactions energy: -141.249 where: short stacking energy: -65.269 Base-Backbone interact. energy: -0.160 local terms energy: -67.037136 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -7.954 tors. eta vs tors. theta energy: -18.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -205.255257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.255257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.255257 (E_RNA) where: Base-Base interactions energy: -135.782 where: short stacking energy: -57.475 Base-Backbone interact. energy: -0.490 local terms energy: -68.982997 where: bonds (distance) C4'-P energy: -14.061 bonds (distance) P-C4' energy: -13.892 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -16.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -203.093929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.093929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.093929 (E_RNA) where: Base-Base interactions energy: -147.431 where: short stacking energy: -50.771 Base-Backbone interact. energy: -0.752 local terms energy: -54.910514 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -13.756 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: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -183.598449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.598449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.598449 (E_RNA) where: Base-Base interactions energy: -128.539 where: short stacking energy: -53.033 Base-Backbone interact. energy: -0.181 local terms energy: -54.877916 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -10.510 flat angles C4'-P-C4' energy: -13.339 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -13.487 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: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -84.250909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.250909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.250909 (E_RNA) where: Base-Base interactions energy: -33.384 where: short stacking energy: -33.384 Base-Backbone interact. energy: -0.005 local terms energy: -50.862447 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -11.948 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -3.954 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: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -75.107972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.107972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.107972 (E_RNA) where: Base-Base interactions energy: -34.294 where: short stacking energy: -26.362 Base-Backbone interact. energy: -0.390 local terms energy: -40.423193 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -7.435 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -74.394301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.394301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.394301 (E_RNA) where: Base-Base interactions energy: -22.153 where: short stacking energy: -22.153 Base-Backbone interact. energy: -0.001 local terms energy: -52.240766 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -5.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -215.781399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.781399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.781399 (E_RNA) where: Base-Base interactions energy: -142.476 where: short stacking energy: -58.319 Base-Backbone interact. energy: -0.045 local terms energy: -73.260401 where: bonds (distance) C4'-P energy: -14.387 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -11.054 tors. eta vs tors. theta energy: -16.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -220.151914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.151914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.151914 (E_RNA) where: Base-Base interactions energy: -148.796 where: short stacking energy: -69.332 Base-Backbone interact. energy: -1.723 local terms energy: -69.632700 where: bonds (distance) C4'-P energy: -8.512 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -11.252 tors. eta vs tors. theta energy: -20.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -212.047163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.047163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.047163 (E_RNA) where: Base-Base interactions energy: -143.379 where: short stacking energy: -64.291 Base-Backbone interact. energy: -0.164 local terms energy: -68.504071 where: bonds (distance) C4'-P energy: -10.643 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -11.307 tors. eta vs tors. theta energy: -17.100 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: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -213.932435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.932435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.932435 (E_RNA) where: Base-Base interactions energy: -143.970 where: short stacking energy: -68.678 Base-Backbone interact. energy: -0.023 local terms energy: -69.940008 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: -19.067 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: 5, replica: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -205.775716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.775716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.775716 (E_RNA) where: Base-Base interactions energy: -139.694 where: short stacking energy: -58.637 Base-Backbone interact. energy: -0.102 local terms energy: -65.980209 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -215.559854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.559854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.559854 (E_RNA) where: Base-Base interactions energy: -151.483 where: short stacking energy: -67.717 Base-Backbone interact. energy: -0.106 local terms energy: -63.970343 where: bonds (distance) C4'-P energy: -11.658 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -7.550 tors. eta vs tors. theta energy: -16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -167.240263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.240263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.240263 (E_RNA) where: Base-Base interactions energy: -112.040 where: short stacking energy: -53.040 Base-Backbone interact. energy: -0.071 local terms energy: -55.129459 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -11.465 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -6.703 tors. eta vs tors. theta energy: -9.889 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: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -80.990843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.990843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.990843 (E_RNA) where: Base-Base interactions energy: -34.163 where: short stacking energy: -34.163 Base-Backbone interact. energy: -0.358 local terms energy: -46.470306 where: bonds (distance) C4'-P energy: -8.591 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -10.345 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -82.349254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.349254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.349254 (E_RNA) where: Base-Base interactions energy: -26.077 where: short stacking energy: -26.077 Base-Backbone interact. energy: -0.100 local terms energy: -56.172282 where: bonds (distance) C4'-P energy: -15.555 bonds (distance) P-C4' energy: -16.893 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -9.215 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -73.888261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.888261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.888261 (E_RNA) where: Base-Base interactions energy: -21.295 where: short stacking energy: -21.295 Base-Backbone interact. energy: -0.145 local terms energy: -52.447792 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -14.024 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -218.763593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.763593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.763593 (E_RNA) where: Base-Base interactions energy: -147.337 where: short stacking energy: -62.582 Base-Backbone interact. energy: -0.010 local terms energy: -71.416423 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -19.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -224.887124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.887124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.887124 (E_RNA) where: Base-Base interactions energy: -154.833 where: short stacking energy: -69.590 Base-Backbone interact. energy: -0.379 local terms energy: -69.675561 where: bonds (distance) C4'-P energy: -11.518 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -20.002 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: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -213.566486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.566486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.566486 (E_RNA) where: Base-Base interactions energy: -145.808 where: short stacking energy: -66.726 Base-Backbone interact. energy: -0.184 local terms energy: -67.574957 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -10.806 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: -17.581 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: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -212.086677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.086677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.086677 (E_RNA) where: Base-Base interactions energy: -146.102 where: short stacking energy: -60.264 Base-Backbone interact. energy: -0.267 local terms energy: -65.718193 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -18.304 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: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -209.337053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.337053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.337053 (E_RNA) where: Base-Base interactions energy: -140.313 where: short stacking energy: -57.251 Base-Backbone interact. energy: -0.423 local terms energy: -68.601044 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -15.073 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -173.083335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.083335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.083335 (E_RNA) where: Base-Base interactions energy: -118.052 where: short stacking energy: -46.180 Base-Backbone interact. energy: -0.007 local terms energy: -55.023642 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -10.608 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -9.620 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: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -204.686715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.686715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.686715 (E_RNA) where: Base-Base interactions energy: -137.563 where: short stacking energy: -60.481 Base-Backbone interact. energy: -0.010 local terms energy: -67.114542 where: bonds (distance) C4'-P energy: -9.762 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -12.315 flat angles P-C4'-P energy: -13.271 tors. eta vs tors. theta energy: -19.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -87.760968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.760968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.760968 (E_RNA) where: Base-Base interactions energy: -41.622 where: short stacking energy: -41.822 Base-Backbone interact. energy: 0.402 local terms energy: -46.540959 where: bonds (distance) C4'-P energy: -8.554 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -12.355 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -81.975003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.975003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.975003 (E_RNA) where: Base-Base interactions energy: -28.258 where: short stacking energy: -28.258 Base-Backbone interact. energy: -0.267 local terms energy: -53.449914 where: bonds (distance) C4'-P energy: -9.633 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -7.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -66.432512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.432512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.432512 (E_RNA) where: Base-Base interactions energy: -21.499 where: short stacking energy: -11.181 Base-Backbone interact. energy: -0.584 local terms energy: -44.349759 where: bonds (distance) C4'-P energy: -10.310 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -12.854 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: 3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -216.595299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.595299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.595299 (E_RNA) where: Base-Base interactions energy: -146.617 where: short stacking energy: -65.786 Base-Backbone interact. energy: -0.291 local terms energy: -69.687816 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -12.419 tors. eta vs tors. theta energy: -18.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -214.529562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.529562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.529562 (E_RNA) where: Base-Base interactions energy: -152.009 where: short stacking energy: -66.324 Base-Backbone interact. energy: -0.289 local terms energy: -62.231522 where: bonds (distance) C4'-P energy: -11.637 bonds (distance) P-C4' energy: -9.262 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -18.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -217.700410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.700410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.700410 (E_RNA) where: Base-Base interactions energy: -143.362 where: short stacking energy: -63.472 Base-Backbone interact. energy: -0.180 local terms energy: -74.158403 where: bonds (distance) C4'-P energy: -15.678 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -18.958 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: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -212.755283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.755283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.755283 (E_RNA) where: Base-Base interactions energy: -144.240 where: short stacking energy: -57.996 Base-Backbone interact. energy: -0.072 local terms energy: -68.442714 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -13.302 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -18.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -206.303574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.303574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.303574 (E_RNA) where: Base-Base interactions energy: -134.785 where: short stacking energy: -54.247 Base-Backbone interact. energy: -0.399 local terms energy: -71.119316 where: bonds (distance) C4'-P energy: -16.676 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -10.211 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: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -192.121836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.121836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.121836 (E_RNA) where: Base-Base interactions energy: -126.958 where: short stacking energy: -48.434 Base-Backbone interact. energy: -0.106 local terms energy: -65.057858 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -15.693 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -10.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -188.839424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.839424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.839424 (E_RNA) where: Base-Base interactions energy: -129.222 where: short stacking energy: -52.186 Base-Backbone interact. energy: -0.157 local terms energy: -59.460846 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: -10.971 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: 8, replica: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -90.804152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.804152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.804152 (E_RNA) where: Base-Base interactions energy: -41.961 where: short stacking energy: -41.961 Base-Backbone interact. energy: -0.005 local terms energy: -48.838381 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -9.903 flat angles P-C4'-P energy: -4.932 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: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -72.793701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.793701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.793701 (E_RNA) where: Base-Base interactions energy: -30.009 where: short stacking energy: -23.494 Base-Backbone interact. energy: -0.152 local terms energy: -42.633402 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -11.005 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: 0.174 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: 242 Temperature: 1.350000 Total energy: -73.506684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.506684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.506684 (E_RNA) where: Base-Base interactions energy: -26.101 where: short stacking energy: -24.466 Base-Backbone interact. energy: -0.200 local terms energy: -47.205513 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -13.289 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -3.195 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: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -222.486444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.486444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.486444 (E_RNA) where: Base-Base interactions energy: -150.172 where: short stacking energy: -64.935 Base-Backbone interact. energy: -0.344 local terms energy: -71.970565 where: bonds (distance) C4'-P energy: -16.197 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -15.955 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -19.316 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: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -225.085984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.085984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.085984 (E_RNA) where: Base-Base interactions energy: -151.024 where: short stacking energy: -62.595 Base-Backbone interact. energy: -0.099 local terms energy: -73.963082 where: bonds (distance) C4'-P energy: -15.997 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -19.358 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: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -210.027408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.027408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.027408 (E_RNA) where: Base-Base interactions energy: -149.334 where: short stacking energy: -64.462 Base-Backbone interact. energy: -0.015 local terms energy: -60.678250 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -10.667 tors. eta vs tors. theta energy: -18.267 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: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -212.786408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.786408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.786408 (E_RNA) where: Base-Base interactions energy: -143.177 where: short stacking energy: -64.646 Base-Backbone interact. energy: -0.140 local terms energy: -69.468998 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -11.527 tors. eta vs tors. theta energy: -18.292 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: 3 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -210.849508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.849508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.849508 (E_RNA) where: Base-Base interactions energy: -138.998 where: short stacking energy: -66.340 Base-Backbone interact. energy: -0.025 local terms energy: -71.826683 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -15.252 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -20.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -201.721893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.721893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.721893 (E_RNA) where: Base-Base interactions energy: -141.479 where: short stacking energy: -61.409 Base-Backbone interact. energy: -0.632 local terms energy: -59.610698 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -10.818 tors. eta vs tors. theta energy: -17.204 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: 7 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -164.197471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.197471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.197471 (E_RNA) where: Base-Base interactions energy: -109.686 where: short stacking energy: -46.046 Base-Backbone interact. energy: -0.115 local terms energy: -54.396316 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -11.145 flat angles C4'-P-C4' energy: -13.324 flat angles P-C4'-P energy: -9.482 tors. eta vs tors. theta energy: -10.293 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: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -85.548054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.548054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.548054 (E_RNA) where: Base-Base interactions energy: -31.846 where: short stacking energy: -31.846 Base-Backbone interact. energy: -0.188 local terms energy: -53.514261 where: bonds (distance) C4'-P energy: -15.955 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -76.757687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.757687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.757687 (E_RNA) where: Base-Base interactions energy: -23.088 where: short stacking energy: -23.088 Base-Backbone interact. energy: -0.160 local terms energy: -53.509892 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -12.808 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -74.377248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.377248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.377248 (E_RNA) where: Base-Base interactions energy: -24.071 where: short stacking energy: -23.767 Base-Backbone interact. energy: 0.343 local terms energy: -50.648892 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -9.340 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -8.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -224.348493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.348493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.348493 (E_RNA) where: Base-Base interactions energy: -155.750 where: short stacking energy: -72.897 Base-Backbone interact. energy: -0.407 local terms energy: -68.191566 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -19.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -219.536538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.536538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.536538 (E_RNA) where: Base-Base interactions energy: -146.265 where: short stacking energy: -64.635 Base-Backbone interact. energy: -0.001 local terms energy: -73.270656 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -12.080 tors. eta vs tors. theta energy: -18.473 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: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -217.541720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.541720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.541720 (E_RNA) where: Base-Base interactions energy: -145.694 where: short stacking energy: -65.113 Base-Backbone interact. energy: -0.053 local terms energy: -71.794519 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -18.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -207.158334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.158334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.158334 (E_RNA) where: Base-Base interactions energy: -139.544 where: short stacking energy: -63.746 Base-Backbone interact. energy: -0.388 local terms energy: -67.225790 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -15.521 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -17.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -202.611871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.611871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.611871 (E_RNA) where: Base-Base interactions energy: -137.467 where: short stacking energy: -55.602 Base-Backbone interact. energy: -0.053 local terms energy: -65.092018 where: bonds (distance) C4'-P energy: -10.623 bonds (distance) P-C4' energy: -11.509 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -11.326 tors. eta vs tors. theta energy: -15.443 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: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -199.639294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.639294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.639294 (E_RNA) where: Base-Base interactions energy: -138.198 where: short stacking energy: -57.649 Base-Backbone interact. energy: -0.120 local terms energy: -61.321219 where: bonds (distance) C4'-P energy: -10.820 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -11.888 flat angles P-C4'-P energy: -7.463 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: 244 Temperature: 1.200000 Total energy: -162.397782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.397782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.397782 (E_RNA) where: Base-Base interactions energy: -102.680 where: short stacking energy: -46.120 Base-Backbone interact. energy: -0.811 local terms energy: -58.906596 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -13.794 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -9.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -74.820278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.820278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.820278 (E_RNA) where: Base-Base interactions energy: -32.414 where: short stacking energy: -16.558 Base-Backbone interact. energy: 1.113 local terms energy: -43.519263 where: bonds (distance) C4'-P energy: -9.054 bonds (distance) P-C4' energy: -13.080 flat angles C4'-P-C4' energy: -14.841 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: 0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -81.487285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.487285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.487285 (E_RNA) where: Base-Base interactions energy: -34.456 where: short stacking energy: -29.928 Base-Backbone interact. energy: -0.062 local terms energy: -46.969699 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -9.718 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -75.561710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.561710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.561710 (E_RNA) where: Base-Base interactions energy: -26.699 where: short stacking energy: -24.670 Base-Backbone interact. energy: -0.283 local terms energy: -48.579868 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -9.678 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -226.924336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.924336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.924336 (E_RNA) where: Base-Base interactions energy: -154.402 where: short stacking energy: -69.639 Base-Backbone interact. energy: -0.038 local terms energy: -72.484469 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -14.828 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -10.507 tors. eta vs tors. theta energy: -18.124 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: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -223.431695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.431695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.431695 (E_RNA) where: Base-Base interactions energy: -150.937 where: short stacking energy: -68.266 Base-Backbone interact. energy: -0.009 local terms energy: -72.485546 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -12.285 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: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -219.602130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.602130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.602130 (E_RNA) where: Base-Base interactions energy: -144.567 where: short stacking energy: -64.348 Base-Backbone interact. energy: -0.042 local terms energy: -74.993232 where: bonds (distance) C4'-P energy: -16.304 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -12.055 tors. eta vs tors. theta energy: -20.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -208.165369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.165369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.165369 (E_RNA) where: Base-Base interactions energy: -141.494 where: short stacking energy: -57.438 Base-Backbone interact. energy: -0.000 local terms energy: -66.671716 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -14.245 flat angles C4'-P-C4' energy: -12.406 flat angles P-C4'-P energy: -7.870 tors. eta vs tors. theta energy: -17.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -206.580258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.580258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.580258 (E_RNA) where: Base-Base interactions energy: -145.316 where: short stacking energy: -56.429 Base-Backbone interact. energy: 0.163 local terms energy: -61.427902 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -13.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -159.941614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.941614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.941614 (E_RNA) where: Base-Base interactions energy: -100.977 where: short stacking energy: -53.177 Base-Backbone interact. energy: -0.153 local terms energy: -58.811390 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -10.884 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -12.635 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: 245 Temperature: 1.200000 Total energy: -196.821831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.821831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.821831 (E_RNA) where: Base-Base interactions energy: -128.602 where: short stacking energy: -54.469 Base-Backbone interact. energy: -0.278 local terms energy: -67.942268 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -11.422 tors. eta vs tors. theta energy: -15.368 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: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -84.252607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.252607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.252607 (E_RNA) where: Base-Base interactions energy: -35.421 where: short stacking energy: -35.421 Base-Backbone interact. energy: 0.406 local terms energy: -49.237737 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -0.121 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -82.941137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.941137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.941137 (E_RNA) where: Base-Base interactions energy: -37.826 where: short stacking energy: -37.826 Base-Backbone interact. energy: -0.361 local terms energy: -44.754151 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -7.755 flat angles C4'-P-C4' energy: -14.973 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -84.364730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.364730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.364730 (E_RNA) where: Base-Base interactions energy: -37.479 where: short stacking energy: -37.479 Base-Backbone interact. energy: -0.019 local terms energy: -46.866614 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -9.943 flat angles C4'-P-C4' energy: -11.795 flat angles P-C4'-P energy: -6.061 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: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -220.397737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.397737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.397737 (E_RNA) where: Base-Base interactions energy: -156.593 where: short stacking energy: -71.795 Base-Backbone interact. energy: -0.010 local terms energy: -63.795097 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -11.855 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -20.090 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: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -222.231882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.231882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.231882 (E_RNA) where: Base-Base interactions energy: -149.184 where: short stacking energy: -64.798 Base-Backbone interact. energy: -0.003 local terms energy: -73.045339 where: bonds (distance) C4'-P energy: -14.222 bonds (distance) P-C4' energy: -12.456 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -11.002 tors. eta vs tors. theta energy: -19.818 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: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -214.331955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.331955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.331955 (E_RNA) where: Base-Base interactions energy: -145.970 where: short stacking energy: -63.587 Base-Backbone interact. energy: -0.236 local terms energy: -68.125163 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -17.698 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: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -210.164605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.164605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.164605 (E_RNA) where: Base-Base interactions energy: -144.414 where: short stacking energy: -65.874 Base-Backbone interact. energy: -0.002 local terms energy: -65.749410 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -13.317 flat angles C4'-P-C4' energy: -15.186 flat angles P-C4'-P energy: -8.677 tors. eta vs tors. theta energy: -15.843 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: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -173.068179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.068179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.068179 (E_RNA) where: Base-Base interactions energy: -114.164 where: short stacking energy: -54.250 Base-Backbone interact. energy: -0.012 local terms energy: -58.891928 where: bonds (distance) C4'-P energy: -12.346 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -12.181 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: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -184.647124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.647124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.647124 (E_RNA) where: Base-Base interactions energy: -129.770 where: short stacking energy: -47.530 Base-Backbone interact. energy: 0.164 local terms energy: -55.041094 where: bonds (distance) C4'-P energy: -10.963 bonds (distance) P-C4' energy: -8.813 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -12.895 tors. eta vs tors. theta energy: -11.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -186.551268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.551268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.551268 (E_RNA) where: Base-Base interactions energy: -137.987 where: short stacking energy: -54.743 Base-Backbone interact. energy: -0.057 local terms energy: -48.507593 where: bonds (distance) C4'-P energy: -9.262 bonds (distance) P-C4' energy: -3.198 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: -13.338 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: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -106.531775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.531775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.531775 (E_RNA) where: Base-Base interactions energy: -56.381 where: short stacking energy: -26.569 Base-Backbone interact. energy: -1.043 local terms energy: -49.107396 where: bonds (distance) C4'-P energy: -11.585 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -2.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -80.648898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.648898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.648898 (E_RNA) where: Base-Base interactions energy: -37.679 where: short stacking energy: -33.418 Base-Backbone interact. energy: -0.004 local terms energy: -42.966546 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -12.488 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -71.785953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.785953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.785953 (E_RNA) where: Base-Base interactions energy: -22.763 where: short stacking energy: -16.715 Base-Backbone interact. energy: 0.257 local terms energy: -49.279651 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -11.130 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -2.663 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: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -221.878909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.878909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.878909 (E_RNA) where: Base-Base interactions energy: -156.601 where: short stacking energy: -68.886 Base-Backbone interact. energy: -0.005 local terms energy: -65.272337 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -18.992 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: 2, replica: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -217.946350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.946350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.946350 (E_RNA) where: Base-Base interactions energy: -147.731 where: short stacking energy: -64.719 Base-Backbone interact. energy: -0.012 local terms energy: -70.203544 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -7.534 tors. eta vs tors. theta energy: -21.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -212.169391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.169391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.169391 (E_RNA) where: Base-Base interactions energy: -139.220 where: short stacking energy: -62.356 Base-Backbone interact. energy: -0.343 local terms energy: -72.605894 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -15.063 flat angles P-C4'-P energy: -12.149 tors. eta vs tors. theta energy: -16.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -189.555246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.555246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.555246 (E_RNA) where: Base-Base interactions energy: -124.862 where: short stacking energy: -55.858 Base-Backbone interact. energy: -0.142 local terms energy: -64.550997 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -12.652 tors. eta vs tors. theta energy: -11.582 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: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -201.832988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.832988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.832988 (E_RNA) where: Base-Base interactions energy: -133.136 where: short stacking energy: -53.146 Base-Backbone interact. energy: -1.557 local terms energy: -67.139381 where: bonds (distance) C4'-P energy: -12.706 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -14.450 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: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -205.040764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.040764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.040764 (E_RNA) where: Base-Base interactions energy: -142.513 where: short stacking energy: -58.568 Base-Backbone interact. energy: -0.448 local terms energy: -62.080403 where: bonds (distance) C4'-P energy: -9.312 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -9.422 tors. eta vs tors. theta energy: -15.695 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: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -183.595998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.595998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.595998 (E_RNA) where: Base-Base interactions energy: -122.348 where: short stacking energy: -55.803 Base-Backbone interact. energy: -0.087 local terms energy: -61.160708 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -12.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -123.310988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.310988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.310988 (E_RNA) where: Base-Base interactions energy: -73.196 where: short stacking energy: -40.152 Base-Backbone interact. energy: -0.324 local terms energy: -49.790560 where: bonds (distance) C4'-P energy: -10.945 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -11.102 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -81.124695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.124695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.124695 (E_RNA) where: Base-Base interactions energy: -28.173 where: short stacking energy: -28.173 Base-Backbone interact. energy: -0.141 local terms energy: -52.810212 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -9.012 flat angles P-C4'-P energy: -11.327 tors. eta vs tors. theta energy: -6.813 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: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -71.573321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.573321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.573321 (E_RNA) where: Base-Base interactions energy: -31.042 where: short stacking energy: -31.042 Base-Backbone interact. energy: -0.068 local terms energy: -40.463344 where: bonds (distance) C4'-P energy: -11.182 bonds (distance) P-C4' energy: -12.019 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -0.134 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: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -223.323194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.323194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.323194 (E_RNA) where: Base-Base interactions energy: -146.550 where: short stacking energy: -67.687 Base-Backbone interact. energy: -0.788 local terms energy: -75.985146 where: bonds (distance) C4'-P energy: -16.113 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -16.736 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -22.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -212.914129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.914129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.914129 (E_RNA) where: Base-Base interactions energy: -149.434 where: short stacking energy: -58.733 Base-Backbone interact. energy: -0.074 local terms energy: -63.405753 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -11.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -204.757231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.757231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.757231 (E_RNA) where: Base-Base interactions energy: -139.933 where: short stacking energy: -62.484 Base-Backbone interact. energy: -0.079 local terms energy: -64.744913 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -13.703 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: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -208.918854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.918854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.918854 (E_RNA) where: Base-Base interactions energy: -142.462 where: short stacking energy: -65.509 Base-Backbone interact. energy: -0.001 local terms energy: -66.456167 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -13.436 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -18.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -213.662653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.662653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.662653 (E_RNA) where: Base-Base interactions energy: -145.377 where: short stacking energy: -64.845 Base-Backbone interact. energy: -0.074 local terms energy: -68.211159 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -8.395 tors. eta vs tors. theta energy: -17.200 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: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -203.124546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.124546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.124546 (E_RNA) where: Base-Base interactions energy: -138.087 where: short stacking energy: -59.778 Base-Backbone interact. energy: -0.003 local terms energy: -65.033960 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -18.103 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: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -187.349532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.349532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.349532 (E_RNA) where: Base-Base interactions energy: -126.628 where: short stacking energy: -53.320 Base-Backbone interact. energy: -0.101 local terms energy: -60.619767 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -14.858 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: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -112.194257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.194257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.194257 (E_RNA) where: Base-Base interactions energy: -55.786 where: short stacking energy: -22.008 Base-Backbone interact. energy: -0.003 local terms energy: -56.405290 where: bonds (distance) C4'-P energy: -15.811 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -79.195110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.195110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.195110 (E_RNA) where: Base-Base interactions energy: -28.506 where: short stacking energy: -28.506 Base-Backbone interact. energy: -0.209 local terms energy: -50.479647 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -74.001194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.001194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.001194 (E_RNA) where: Base-Base interactions energy: -28.720 where: short stacking energy: -28.705 Base-Backbone interact. energy: -0.259 local terms energy: -45.021817 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -11.093 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -211.214017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.214017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.214017 (E_RNA) where: Base-Base interactions energy: -141.573 where: short stacking energy: -59.764 Base-Backbone interact. energy: -0.015 local terms energy: -69.626386 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -16.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -202.586194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.586194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.586194 (E_RNA) where: Base-Base interactions energy: -136.419 where: short stacking energy: -64.186 Base-Backbone interact. energy: -0.175 local terms energy: -65.992505 where: bonds (distance) C4'-P energy: -10.577 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -14.498 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: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -204.877497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.877497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.877497 (E_RNA) where: Base-Base interactions energy: -146.948 where: short stacking energy: -58.792 Base-Backbone interact. energy: -0.093 local terms energy: -57.836773 where: bonds (distance) C4'-P energy: -9.713 bonds (distance) P-C4' energy: -11.892 flat angles C4'-P-C4' energy: -14.562 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -15.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -219.787603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.787603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.787603 (E_RNA) where: Base-Base interactions energy: -145.619 where: short stacking energy: -67.244 Base-Backbone interact. energy: -0.169 local terms energy: -74.000117 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -16.792 flat angles P-C4'-P energy: -10.940 tors. eta vs tors. theta energy: -20.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -204.222700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.222700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.222700 (E_RNA) where: Base-Base interactions energy: -137.005 where: short stacking energy: -58.936 Base-Backbone interact. energy: -0.029 local terms energy: -67.188445 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -12.314 tors. eta vs tors. theta energy: -15.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -205.035100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.035100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.035100 (E_RNA) where: Base-Base interactions energy: -140.500 where: short stacking energy: -61.551 Base-Backbone interact. energy: -0.347 local terms energy: -64.189033 where: bonds (distance) C4'-P energy: -10.557 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -19.816 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: 249 Temperature: 1.200000 Total energy: -192.225277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.225277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.225277 (E_RNA) where: Base-Base interactions energy: -135.948 where: short stacking energy: -59.881 Base-Backbone interact. energy: -0.051 local terms energy: -56.225623 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -10.584 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: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -79.872199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.872199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.872199 (E_RNA) where: Base-Base interactions energy: -34.635 where: short stacking energy: -33.615 Base-Backbone interact. energy: -0.089 local terms energy: -45.148711 where: bonds (distance) C4'-P energy: -9.344 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -5.450 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: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -76.134498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.134498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.134498 (E_RNA) where: Base-Base interactions energy: -36.325 where: short stacking energy: -29.983 Base-Backbone interact. energy: 0.229 local terms energy: -40.038523 where: bonds (distance) C4'-P energy: -9.398 bonds (distance) P-C4' energy: -10.733 flat angles C4'-P-C4' energy: -10.736 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -77.311249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.311249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.311249 (E_RNA) where: Base-Base interactions energy: -25.123 where: short stacking energy: -25.043 Base-Backbone interact. energy: -0.065 local terms energy: -52.123136 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -11.441 flat angles P-C4'-P energy: -9.171 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -219.564509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.564509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.564509 (E_RNA) where: Base-Base interactions energy: -142.721 where: short stacking energy: -61.829 Base-Backbone interact. energy: -0.073 local terms energy: -76.770201 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -16.306 flat angles C4'-P-C4' energy: -17.204 flat angles P-C4'-P energy: -12.923 tors. eta vs tors. theta energy: -16.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -203.842653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.842653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.842653 (E_RNA) where: Base-Base interactions energy: -132.205 where: short stacking energy: -60.407 Base-Backbone interact. energy: -0.290 local terms energy: -71.348316 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -13.207 tors. eta vs tors. theta energy: -18.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -210.905336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.905336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.905336 (E_RNA) where: Base-Base interactions energy: -142.110 where: short stacking energy: -59.023 Base-Backbone interact. energy: -0.010 local terms energy: -68.785184 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -17.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -207.804247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.804247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.804247 (E_RNA) where: Base-Base interactions energy: -138.415 where: short stacking energy: -60.881 Base-Backbone interact. energy: -0.000 local terms energy: -69.389212 where: bonds (distance) C4'-P energy: -11.604 bonds (distance) P-C4' energy: -12.798 flat angles C4'-P-C4' energy: -16.446 flat angles P-C4'-P energy: -11.217 tors. eta vs tors. theta energy: -17.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -205.528371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.528371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.528371 (E_RNA) where: Base-Base interactions energy: -138.686 where: short stacking energy: -63.088 Base-Backbone interact. energy: -0.067 local terms energy: -66.775161 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -14.718 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -17.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -198.515884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.515884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.515884 (E_RNA) where: Base-Base interactions energy: -137.777 where: short stacking energy: -59.696 Base-Backbone interact. energy: -0.114 local terms energy: -60.625324 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -15.597 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: 3 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -193.979267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.979267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.979267 (E_RNA) where: Base-Base interactions energy: -136.450 where: short stacking energy: -56.699 Base-Backbone interact. energy: -0.104 local terms energy: -57.425834 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -16.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -89.720387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.720387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.720387 (E_RNA) where: Base-Base interactions energy: -33.686 where: short stacking energy: -33.686 Base-Backbone interact. energy: -0.073 local terms energy: -55.960775 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -84.050258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.050258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.050258 (E_RNA) where: Base-Base interactions energy: -30.253 where: short stacking energy: -30.253 Base-Backbone interact. energy: 0.371 local terms energy: -54.168349 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -74.543814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.543814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.543814 (E_RNA) where: Base-Base interactions energy: -28.089 where: short stacking energy: -25.674 Base-Backbone interact. energy: -0.226 local terms energy: -46.228517 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -10.799 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -7.325 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: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -225.799191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.799191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.799191 (E_RNA) where: Base-Base interactions energy: -147.261 where: short stacking energy: -65.933 Base-Backbone interact. energy: -0.671 local terms energy: -77.867478 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -16.500 flat angles P-C4'-P energy: -12.436 tors. eta vs tors. theta energy: -20.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -220.341745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.341745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.341745 (E_RNA) where: Base-Base interactions energy: -145.253 where: short stacking energy: -67.158 Base-Backbone interact. energy: -0.013 local terms energy: -75.075614 where: bonds (distance) C4'-P energy: -15.600 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -15.166 flat angles P-C4'-P energy: -11.685 tors. eta vs tors. theta energy: -19.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -172.325018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.325018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.325018 (E_RNA) where: Base-Base interactions energy: -114.967 where: short stacking energy: -47.330 Base-Backbone interact. energy: -0.094 local terms energy: -57.263956 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -13.577 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -13.279 tors. eta vs tors. theta energy: -8.332 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: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -215.373873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.373873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.373873 (E_RNA) where: Base-Base interactions energy: -146.665 where: short stacking energy: -61.823 Base-Backbone interact. energy: 0.032 local terms energy: -68.740574 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -10.728 tors. eta vs tors. theta energy: -19.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -208.211167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.211167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.211167 (E_RNA) where: Base-Base interactions energy: -135.873 where: short stacking energy: -56.593 Base-Backbone interact. energy: -0.019 local terms energy: -72.319855 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -14.663 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -19.129 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: 6, replica: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -204.037361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.037361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.037361 (E_RNA) where: Base-Base interactions energy: -135.925 where: short stacking energy: -59.707 Base-Backbone interact. energy: 0.733 local terms energy: -68.845286 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -16.233 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -19.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -198.626700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.626700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.626700 (E_RNA) where: Base-Base interactions energy: -134.369 where: short stacking energy: -56.390 Base-Backbone interact. energy: -0.974 local terms energy: -63.283695 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -14.700 flat angles P-C4'-P energy: -11.433 tors. eta vs tors. theta energy: -13.144 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: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -97.663461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.663461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.663461 (E_RNA) where: Base-Base interactions energy: -47.621 where: short stacking energy: -30.297 Base-Backbone interact. energy: 0.408 local terms energy: -50.451262 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -9.149 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: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -88.241753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.241753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.241753 (E_RNA) where: Base-Base interactions energy: -45.042 where: short stacking energy: -36.137 Base-Backbone interact. energy: -0.054 local terms energy: -43.145432 where: bonds (distance) C4'-P energy: -9.597 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -10.492 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: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -82.870660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.870660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.870660 (E_RNA) where: Base-Base interactions energy: -36.901 where: short stacking energy: -36.741 Base-Backbone interact. energy: 0.089 local terms energy: -46.058221 where: bonds (distance) C4'-P energy: -9.742 bonds (distance) P-C4' energy: -10.281 flat angles C4'-P-C4' energy: -10.837 flat angles P-C4'-P energy: -5.825 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: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -222.030381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.030381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.030381 (E_RNA) where: Base-Base interactions energy: -151.989 where: short stacking energy: -66.497 Base-Backbone interact. energy: -0.014 local terms energy: -70.027964 where: bonds (distance) C4'-P energy: -15.102 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -9.754 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: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -226.821180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.821180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.821180 (E_RNA) where: Base-Base interactions energy: -153.365 where: short stacking energy: -71.323 Base-Backbone interact. energy: -0.005 local terms energy: -73.451563 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -10.810 flat angles C4'-P-C4' energy: -16.382 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -21.804 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: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -215.361489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.361489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.361489 (E_RNA) where: Base-Base interactions energy: -148.364 where: short stacking energy: -64.190 Base-Backbone interact. energy: -0.505 local terms energy: -66.492341 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -12.064 tors. eta vs tors. theta energy: -15.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -172.662712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.662712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.662712 (E_RNA) where: Base-Base interactions energy: -108.079 where: short stacking energy: -53.444 Base-Backbone interact. energy: -0.413 local terms energy: -64.171090 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -13.436 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -10.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -206.020411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.020411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.020411 (E_RNA) where: Base-Base interactions energy: -146.120 where: short stacking energy: -61.254 Base-Backbone interact. energy: 1.312 local terms energy: -61.212424 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -11.204 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -15.577 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: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -203.602985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.602985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.602985 (E_RNA) where: Base-Base interactions energy: -139.085 where: short stacking energy: -58.903 Base-Backbone interact. energy: -0.666 local terms energy: -63.851186 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -15.702 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -14.673 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: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -194.998851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.998851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.998851 (E_RNA) where: Base-Base interactions energy: -134.428 where: short stacking energy: -54.029 Base-Backbone interact. energy: -0.068 local terms energy: -60.503040 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -9.830 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -13.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -79.110938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.110938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.110938 (E_RNA) where: Base-Base interactions energy: -37.089 where: short stacking energy: -32.542 Base-Backbone interact. energy: -0.567 local terms energy: -41.455012 where: bonds (distance) C4'-P energy: -15.132 bonds (distance) P-C4' energy: -9.452 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: 0.357 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -78.316760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.316760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.316760 (E_RNA) where: Base-Base interactions energy: -32.786 where: short stacking energy: -32.786 Base-Backbone interact. energy: -0.166 local terms energy: -45.364645 where: bonds (distance) C4'-P energy: -13.827 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -79.447694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.447694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.447694 (E_RNA) where: Base-Base interactions energy: -35.098 where: short stacking energy: -25.380 Base-Backbone interact. energy: 0.138 local terms energy: -44.487768 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -220.059738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.059738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.059738 (E_RNA) where: Base-Base interactions energy: -149.299 where: short stacking energy: -65.394 Base-Backbone interact. energy: -1.056 local terms energy: -69.704414 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -11.385 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -19.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -218.804063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.804063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.804063 (E_RNA) where: Base-Base interactions energy: -146.685 where: short stacking energy: -68.385 Base-Backbone interact. energy: -0.007 local terms energy: -72.112118 where: bonds (distance) C4'-P energy: -14.901 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -14.776 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -18.594 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: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -216.277873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.277873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.277873 (E_RNA) where: Base-Base interactions energy: -145.239 where: short stacking energy: -62.148 Base-Backbone interact. energy: -0.204 local terms energy: -70.834647 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -12.854 tors. eta vs tors. theta energy: -18.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -207.220788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.220788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.220788 (E_RNA) where: Base-Base interactions energy: -142.139 where: short stacking energy: -61.279 Base-Backbone interact. energy: -0.004 local terms energy: -65.077475 where: bonds (distance) C4'-P energy: -10.350 bonds (distance) P-C4' energy: -10.545 flat angles C4'-P-C4' energy: -15.744 flat angles P-C4'-P energy: -9.543 tors. eta vs tors. theta energy: -18.895 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: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -168.489155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.489155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.489155 (E_RNA) where: Base-Base interactions energy: -109.175 where: short stacking energy: -52.175 Base-Backbone interact. energy: -0.095 local terms energy: -59.219780 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -12.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -200.644982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.644982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.644982 (E_RNA) where: Base-Base interactions energy: -138.165 where: short stacking energy: -60.169 Base-Backbone interact. energy: -0.006 local terms energy: -62.474292 where: bonds (distance) C4'-P energy: -11.443 bonds (distance) P-C4' energy: -9.953 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -11.583 tors. eta vs tors. theta energy: -16.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -197.764433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.764433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.764433 (E_RNA) where: Base-Base interactions energy: -138.810 where: short stacking energy: -59.234 Base-Backbone interact. energy: -0.095 local terms energy: -58.858609 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -10.330 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -15.301 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: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -78.587643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.587643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.587643 (E_RNA) where: Base-Base interactions energy: -29.640 where: short stacking energy: -29.640 Base-Backbone interact. energy: -0.181 local terms energy: -48.766607 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -68.819641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.819641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.819641 (E_RNA) where: Base-Base interactions energy: -27.829 where: short stacking energy: -18.766 Base-Backbone interact. energy: 0.474 local terms energy: -41.464409 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -10.512 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -73.659159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.659159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.659159 (E_RNA) where: Base-Base interactions energy: -31.047 where: short stacking energy: -25.518 Base-Backbone interact. energy: -0.325 local terms energy: -42.287407 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: 1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -221.127434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.127434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.127434 (E_RNA) where: Base-Base interactions energy: -143.155 where: short stacking energy: -63.485 Base-Backbone interact. energy: -0.033 local terms energy: -77.938796 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -14.198 tors. eta vs tors. theta energy: -20.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -217.622897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.622897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.622897 (E_RNA) where: Base-Base interactions energy: -148.291 where: short stacking energy: -64.581 Base-Backbone interact. energy: -0.642 local terms energy: -68.689389 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -16.206 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -16.419 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: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -209.241118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.241118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.241118 (E_RNA) where: Base-Base interactions energy: -153.967 where: short stacking energy: -60.462 Base-Backbone interact. energy: -0.108 local terms energy: -55.165836 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -12.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -218.633368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.633368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.633368 (E_RNA) where: Base-Base interactions energy: -152.456 where: short stacking energy: -67.024 Base-Backbone interact. energy: -0.002 local terms energy: -66.174881 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -13.689 flat angles C4'-P-C4' energy: -13.825 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -18.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -205.354744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.354744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.354744 (E_RNA) where: Base-Base interactions energy: -138.709 where: short stacking energy: -62.632 Base-Backbone interact. energy: -0.018 local terms energy: -66.627500 where: bonds (distance) C4'-P energy: -12.997 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -17.667 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: 7 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -172.942664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.942664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.942664 (E_RNA) where: Base-Base interactions energy: -116.709 where: short stacking energy: -47.035 Base-Backbone interact. energy: -0.063 local terms energy: -56.170419 where: bonds (distance) C4'-P energy: -12.430 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -13.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -199.567290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.567290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.567290 (E_RNA) where: Base-Base interactions energy: -137.666 where: short stacking energy: -57.284 Base-Backbone interact. energy: -1.227 local terms energy: -60.674211 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -8.745 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -11.553 tors. eta vs tors. theta energy: -13.035 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: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -84.527635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.527635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.527635 (E_RNA) where: Base-Base interactions energy: -29.750 where: short stacking energy: -29.750 Base-Backbone interact. energy: -0.015 local terms energy: -54.762601 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -13.717 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -8.710 tors. eta vs tors. theta energy: -7.383 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: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -78.526773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.526773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.526773 (E_RNA) where: Base-Base interactions energy: -27.031 where: short stacking energy: -26.791 Base-Backbone interact. energy: -0.094 local terms energy: -51.401548 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -73.616857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.616857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.616857 (E_RNA) where: Base-Base interactions energy: -25.226 where: short stacking energy: -22.213 Base-Backbone interact. energy: 0.107 local terms energy: -48.497679 where: bonds (distance) C4'-P energy: -9.534 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -3.962 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: 255 Temperature: 0.900000 Total energy: -217.121370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.121370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.121370 (E_RNA) where: Base-Base interactions energy: -145.521 where: short stacking energy: -62.749 Base-Backbone interact. energy: -0.262 local terms energy: -71.338275 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -15.912 flat angles P-C4'-P energy: -11.163 tors. eta vs tors. theta energy: -15.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -223.849601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.849601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.849601 (E_RNA) where: Base-Base interactions energy: -149.542 where: short stacking energy: -66.829 Base-Backbone interact. energy: -0.814 local terms energy: -73.494536 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -18.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -218.886054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.886054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.886054 (E_RNA) where: Base-Base interactions energy: -147.240 where: short stacking energy: -66.919 Base-Backbone interact. energy: -0.045 local terms energy: -71.600748 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -12.495 tors. eta vs tors. theta energy: -16.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -207.196806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.196806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.196806 (E_RNA) where: Base-Base interactions energy: -144.981 where: short stacking energy: -57.911 Base-Backbone interact. energy: -0.246 local terms energy: -61.970625 where: bonds (distance) C4'-P energy: -15.480 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -12.004 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -11.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -208.722823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.722823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.722823 (E_RNA) where: Base-Base interactions energy: -143.689 where: short stacking energy: -64.915 Base-Backbone interact. energy: -0.038 local terms energy: -64.996501 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -8.530 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -11.191 tors. eta vs tors. theta energy: -18.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -201.668131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.668131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.668131 (E_RNA) where: Base-Base interactions energy: -143.274 where: short stacking energy: -65.775 Base-Backbone interact. energy: -0.681 local terms energy: -57.713727 where: bonds (distance) C4'-P energy: -10.136 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -18.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -169.425656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.425656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.425656 (E_RNA) where: Base-Base interactions energy: -108.107 where: short stacking energy: -43.771 Base-Backbone interact. energy: 0.667 local terms energy: -61.985830 where: bonds (distance) C4'-P energy: -15.545 bonds (distance) P-C4' energy: -8.838 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -13.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -76.961619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.961619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.961619 (E_RNA) where: Base-Base interactions energy: -24.173 where: short stacking energy: -24.173 Base-Backbone interact. energy: -0.026 local terms energy: -52.761911 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -11.448 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -4.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -83.074063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.074063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.074063 (E_RNA) where: Base-Base interactions energy: -31.461 where: short stacking energy: -31.461 Base-Backbone interact. energy: -0.017 local terms energy: -51.595661 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -9.927 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -9.202 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: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -76.351398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.351398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.351398 (E_RNA) where: Base-Base interactions energy: -31.028 where: short stacking energy: -30.863 Base-Backbone interact. energy: -0.035 local terms energy: -45.288566 where: bonds (distance) C4'-P energy: -8.007 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -6.116 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: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -230.562913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.562913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.562913 (E_RNA) where: Base-Base interactions energy: -154.798 where: short stacking energy: -73.112 Base-Backbone interact. energy: -0.021 local terms energy: -75.743496 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -21.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -217.391487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.391487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.391487 (E_RNA) where: Base-Base interactions energy: -149.766 where: short stacking energy: -67.092 Base-Backbone interact. energy: -0.003 local terms energy: -67.622631 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -15.307 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -16.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -206.954730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.954730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.954730 (E_RNA) where: Base-Base interactions energy: -136.776 where: short stacking energy: -58.496 Base-Backbone interact. energy: -0.211 local terms energy: -69.968222 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -16.507 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -209.619466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.619466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.619466 (E_RNA) where: Base-Base interactions energy: -147.242 where: short stacking energy: -58.650 Base-Backbone interact. energy: -0.117 local terms energy: -62.260674 where: bonds (distance) C4'-P energy: -9.518 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -15.095 flat angles P-C4'-P energy: -11.329 tors. eta vs tors. theta energy: -14.650 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: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -207.284757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.284757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.284757 (E_RNA) where: Base-Base interactions energy: -138.394 where: short stacking energy: -66.113 Base-Backbone interact. energy: -0.003 local terms energy: -68.887443 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -14.052 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -19.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -195.972265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.972265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.972265 (E_RNA) where: Base-Base interactions energy: -138.730 where: short stacking energy: -57.302 Base-Backbone interact. energy: -0.724 local terms energy: -56.518316 where: bonds (distance) C4'-P energy: -12.430 bonds (distance) P-C4' energy: -10.229 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -16.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -191.037089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.037089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.037089 (E_RNA) where: Base-Base interactions energy: -135.530 where: short stacking energy: -52.313 Base-Backbone interact. energy: -0.065 local terms energy: -55.442004 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -12.335 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -10.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -80.230830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.230830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.230830 (E_RNA) where: Base-Base interactions energy: -32.420 where: short stacking energy: -26.718 Base-Backbone interact. energy: -0.284 local terms energy: -47.526205 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -8.589 flat angles C4'-P-C4' energy: -12.267 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -76.493262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.493262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.493262 (E_RNA) where: Base-Base interactions energy: -28.659 where: short stacking energy: -28.659 Base-Backbone interact. energy: -0.146 local terms energy: -47.687913 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -10.614 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -2.121 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: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -72.354731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.354731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.354731 (E_RNA) where: Base-Base interactions energy: -30.351 where: short stacking energy: -30.351 Base-Backbone interact. energy: -0.017 local terms energy: -41.986974 where: bonds (distance) C4'-P energy: -9.074 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -4.559 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: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -220.385266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.385266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.385266 (E_RNA) where: Base-Base interactions energy: -148.861 where: short stacking energy: -68.212 Base-Backbone interact. energy: -0.009 local terms energy: -71.515260 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -11.142 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: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -221.308440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.308440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.308440 (E_RNA) where: Base-Base interactions energy: -145.469 where: short stacking energy: -63.285 Base-Backbone interact. energy: -0.061 local terms energy: -75.778402 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -11.107 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: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -216.106747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.106747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.106747 (E_RNA) where: Base-Base interactions energy: -141.932 where: short stacking energy: -63.363 Base-Backbone interact. energy: -0.714 local terms energy: -73.460773 where: bonds (distance) C4'-P energy: -14.073 bonds (distance) P-C4' energy: -12.241 flat angles C4'-P-C4' energy: -16.575 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -20.705 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: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -205.931561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.931561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.931561 (E_RNA) where: Base-Base interactions energy: -143.263 where: short stacking energy: -56.871 Base-Backbone interact. energy: -0.130 local terms energy: -62.538371 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -8.063 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: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -207.557582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.557582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.557582 (E_RNA) where: Base-Base interactions energy: -144.671 where: short stacking energy: -62.411 Base-Backbone interact. energy: -0.504 local terms energy: -62.382900 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -19.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -201.788690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.788690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.788690 (E_RNA) where: Base-Base interactions energy: -144.493 where: short stacking energy: -65.545 Base-Backbone interact. energy: -0.032 local terms energy: -57.264170 where: bonds (distance) C4'-P energy: -6.430 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -17.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -159.226667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.226667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.226667 (E_RNA) where: Base-Base interactions energy: -106.701 where: short stacking energy: -46.296 Base-Backbone interact. energy: -0.040 local terms energy: -52.485117 where: bonds (distance) C4'-P energy: -9.584 bonds (distance) P-C4' energy: -11.645 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -9.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -84.154916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.154916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.154916 (E_RNA) where: Base-Base interactions energy: -30.374 where: short stacking energy: -27.301 Base-Backbone interact. energy: -0.124 local terms energy: -53.656517 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -4.339 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: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -70.433064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.433064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.433064 (E_RNA) where: Base-Base interactions energy: -23.434 where: short stacking energy: -23.434 Base-Backbone interact. energy: -0.208 local terms energy: -46.791682 where: bonds (distance) C4'-P energy: -9.408 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -15.774 flat angles P-C4'-P energy: -7.797 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -64.454170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.454170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.454170 (E_RNA) where: Base-Base interactions energy: -17.697 where: short stacking energy: -16.270 Base-Backbone interact. energy: -0.533 local terms energy: -46.223468 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -13.578 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -220.131235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.131235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.131235 (E_RNA) where: Base-Base interactions energy: -148.680 where: short stacking energy: -68.507 Base-Backbone interact. energy: -0.012 local terms energy: -71.439314 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -11.948 tors. eta vs tors. theta energy: -19.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -219.378691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.378691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.378691 (E_RNA) where: Base-Base interactions energy: -145.237 where: short stacking energy: -64.515 Base-Backbone interact. energy: -0.021 local terms energy: -74.121179 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -16.686 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -9.576 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: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -216.311892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.311892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.311892 (E_RNA) where: Base-Base interactions energy: -148.820 where: short stacking energy: -63.545 Base-Backbone interact. energy: -0.345 local terms energy: -67.146854 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -13.583 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -19.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -214.243165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.243165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.243165 (E_RNA) where: Base-Base interactions energy: -141.427 where: short stacking energy: -62.116 Base-Backbone interact. energy: -0.001 local terms energy: -72.815565 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -14.937 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -20.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -203.573998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.573998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.573998 (E_RNA) where: Base-Base interactions energy: -139.913 where: short stacking energy: -63.167 Base-Backbone interact. energy: -0.029 local terms energy: -63.631261 where: bonds (distance) C4'-P energy: -9.490 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -13.087 flat angles P-C4'-P energy: -12.782 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -186.870214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.870214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.870214 (E_RNA) where: Base-Base interactions energy: -124.669 where: short stacking energy: -52.680 Base-Backbone interact. energy: -0.137 local terms energy: -62.063636 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -11.650 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -17.447 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: 258 Temperature: 1.200000 Total energy: -174.546581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.546581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.546581 (E_RNA) where: Base-Base interactions energy: -107.975 where: short stacking energy: -53.390 Base-Backbone interact. energy: -0.287 local terms energy: -66.283826 where: bonds (distance) C4'-P energy: -8.885 bonds (distance) P-C4' energy: -16.573 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -15.073 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: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -84.111674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.111674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.111674 (E_RNA) where: Base-Base interactions energy: -40.093 where: short stacking energy: -32.801 Base-Backbone interact. energy: 0.126 local terms energy: -44.144288 where: bonds (distance) C4'-P energy: -8.943 bonds (distance) P-C4' energy: -14.828 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -3.098 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: 258 Temperature: 1.300000 Total energy: -77.926917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.926917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.926917 (E_RNA) where: Base-Base interactions energy: -32.284 where: short stacking energy: -29.003 Base-Backbone interact. energy: -0.706 local terms energy: -44.937246 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -10.228 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -71.771422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.771422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.771422 (E_RNA) where: Base-Base interactions energy: -29.204 where: short stacking energy: -26.106 Base-Backbone interact. energy: -0.964 local terms energy: -41.602462 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -225.048167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.048167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.048167 (E_RNA) where: Base-Base interactions energy: -155.555 where: short stacking energy: -71.893 Base-Backbone interact. energy: -1.909 local terms energy: -67.584314 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -13.499 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -19.425 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: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -223.915408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.915408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.915408 (E_RNA) where: Base-Base interactions energy: -153.121 where: short stacking energy: -69.502 Base-Backbone interact. energy: 0.789 local terms energy: -71.582720 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -17.732 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: 259 Temperature: 1.000000 Total energy: -212.877252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.877252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.877252 (E_RNA) where: Base-Base interactions energy: -147.928 where: short stacking energy: -67.369 Base-Backbone interact. energy: -0.156 local terms energy: -64.793394 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: -17.912 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: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -210.554376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.554376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.554376 (E_RNA) where: Base-Base interactions energy: -144.555 where: short stacking energy: -61.665 Base-Backbone interact. energy: -0.010 local terms energy: -65.989417 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -18.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -212.814755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.814755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.814755 (E_RNA) where: Base-Base interactions energy: -150.452 where: short stacking energy: -68.506 Base-Backbone interact. energy: 0.738 local terms energy: -63.100627 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -10.430 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -9.878 tors. eta vs tors. theta energy: -19.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -204.186433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.186433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.186433 (E_RNA) where: Base-Base interactions energy: -143.531 where: short stacking energy: -61.980 Base-Backbone interact. energy: -0.921 local terms energy: -59.735153 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -8.209 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -16.830 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: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -204.494254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.494254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.494254 (E_RNA) where: Base-Base interactions energy: -142.041 where: short stacking energy: -59.050 Base-Backbone interact. energy: -0.129 local terms energy: -62.324023 where: bonds (distance) C4'-P energy: -14.503 bonds (distance) P-C4' energy: -12.882 flat angles C4'-P-C4' energy: -11.794 flat angles P-C4'-P energy: -7.477 tors. eta vs tors. theta energy: -15.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -82.947239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.947239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.947239 (E_RNA) where: Base-Base interactions energy: -44.159 where: short stacking energy: -30.099 Base-Backbone interact. energy: 2.483 local terms energy: -41.271898 where: bonds (distance) C4'-P energy: -9.742 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -2.858 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: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -82.523048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.523048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.523048 (E_RNA) where: Base-Base interactions energy: -27.526 where: short stacking energy: -27.526 Base-Backbone interact. energy: -0.030 local terms energy: -54.967487 where: bonds (distance) C4'-P energy: -12.051 bonds (distance) P-C4' energy: -16.923 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -70.450217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.450217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.450217 (E_RNA) where: Base-Base interactions energy: -26.027 where: short stacking energy: -21.709 Base-Backbone interact. energy: -0.266 local terms energy: -44.157295 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -0.447 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: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -224.527432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.527432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.527432 (E_RNA) where: Base-Base interactions energy: -152.731 where: short stacking energy: -69.620 Base-Backbone interact. energy: -0.002 local terms energy: -71.795060 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -12.670 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -19.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -222.721253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.721253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.721253 (E_RNA) where: Base-Base interactions energy: -150.540 where: short stacking energy: -69.973 Base-Backbone interact. energy: -0.017 local terms energy: -72.163679 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -10.877 tors. eta vs tors. theta energy: -19.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -218.628567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.628567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.628567 (E_RNA) where: Base-Base interactions energy: -150.663 where: short stacking energy: -67.758 Base-Backbone interact. energy: -0.000 local terms energy: -67.964911 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -11.218 tors. eta vs tors. theta energy: -19.323 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: 4, replica: 9 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -209.691959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.691959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.691959 (E_RNA) where: Base-Base interactions energy: -146.227 where: short stacking energy: -64.888 Base-Backbone interact. energy: -0.633 local terms energy: -62.832004 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -20.246 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: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -215.096844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.096844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.096844 (E_RNA) where: Base-Base interactions energy: -149.631 where: short stacking energy: -69.856 Base-Backbone interact. energy: -0.156 local terms energy: -65.309470 where: bonds (distance) C4'-P energy: -9.990 bonds (distance) P-C4' energy: -7.430 flat angles C4'-P-C4' energy: -15.536 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -20.564 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: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -204.300655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.300655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.300655 (E_RNA) where: Base-Base interactions energy: -142.132 where: short stacking energy: -64.338 Base-Backbone interact. energy: -0.022 local terms energy: -62.145866 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -9.235 flat angles C4'-P-C4' energy: -9.450 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -18.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -201.087408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.087408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.087408 (E_RNA) where: Base-Base interactions energy: -134.676 where: short stacking energy: -58.470 Base-Backbone interact. energy: -0.003 local terms energy: -66.409293 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -9.467 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -95.135784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.135784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.135784 (E_RNA) where: Base-Base interactions energy: -54.988 where: short stacking energy: -36.691 Base-Backbone interact. energy: -0.360 local terms energy: -39.788023 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -68.385511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.385511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.385511 (E_RNA) where: Base-Base interactions energy: -24.621 where: short stacking energy: -24.621 Base-Backbone interact. energy: -0.451 local terms energy: -43.313884 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -11.188 flat angles C4'-P-C4' energy: -10.560 flat angles P-C4'-P energy: -11.189 tors. eta vs tors. theta energy: 0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -72.755439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.755439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.755439 (E_RNA) where: Base-Base interactions energy: -27.351 where: short stacking energy: -25.533 Base-Backbone interact. energy: -0.182 local terms energy: -45.222211 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -9.470 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -0.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -223.028141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.028141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.028141 (E_RNA) where: Base-Base interactions energy: -151.969 where: short stacking energy: -68.000 Base-Backbone interact. energy: -0.564 local terms energy: -70.494945 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -9.327 tors. eta vs tors. theta energy: -19.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -214.942073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.942073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.942073 (E_RNA) where: Base-Base interactions energy: -148.769 where: short stacking energy: -64.934 Base-Backbone interact. energy: -0.008 local terms energy: -66.164776 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -12.344 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -18.098 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: 261 Temperature: 1.000000 Total energy: -212.278196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.278196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.278196 (E_RNA) where: Base-Base interactions energy: -145.977 where: short stacking energy: -60.087 Base-Backbone interact. energy: -0.220 local terms energy: -66.080549 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -16.825 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: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -206.723256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.723256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.723256 (E_RNA) where: Base-Base interactions energy: -138.171 where: short stacking energy: -62.584 Base-Backbone interact. energy: -0.112 local terms energy: -68.440841 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -17.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -206.681161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.681161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.681161 (E_RNA) where: Base-Base interactions energy: -141.582 where: short stacking energy: -65.449 Base-Backbone interact. energy: -0.593 local terms energy: -64.506382 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -15.600 flat angles C4'-P-C4' energy: -13.927 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -17.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -207.990750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.990750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.990750 (E_RNA) where: Base-Base interactions energy: -136.974 where: short stacking energy: -62.716 Base-Backbone interact. energy: -0.190 local terms energy: -70.826292 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -18.263 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: 7, replica: 7 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -206.569957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.569957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.569957 (E_RNA) where: Base-Base interactions energy: -137.918 where: short stacking energy: -62.565 Base-Backbone interact. energy: -0.016 local terms energy: -68.635590 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -18.286 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: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -87.858493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.858493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.858493 (E_RNA) where: Base-Base interactions energy: -36.707 where: short stacking energy: -36.093 Base-Backbone interact. energy: -0.647 local terms energy: -50.504788 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -13.094 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -78.787403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.787403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.787403 (E_RNA) where: Base-Base interactions energy: -42.031 where: short stacking energy: -23.547 Base-Backbone interact. energy: 2.355 local terms energy: -39.111563 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -11.284 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: 3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -75.696581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.696581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.696581 (E_RNA) where: Base-Base interactions energy: -30.111 where: short stacking energy: -30.111 Base-Backbone interact. energy: -0.350 local terms energy: -45.235115 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -13.186 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -229.980758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.980758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.980758 (E_RNA) where: Base-Base interactions energy: -151.732 where: short stacking energy: -66.325 Base-Backbone interact. energy: -0.434 local terms energy: -77.815224 where: bonds (distance) C4'-P energy: -15.778 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -15.456 flat angles P-C4'-P energy: -11.842 tors. eta vs tors. theta energy: -20.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -216.802328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.802328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.802328 (E_RNA) where: Base-Base interactions energy: -145.988 where: short stacking energy: -66.606 Base-Backbone interact. energy: -0.047 local terms energy: -70.768025 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -11.445 flat angles C4'-P-C4' energy: -15.673 flat angles P-C4'-P energy: -10.714 tors. eta vs tors. theta energy: -19.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -210.023988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.023988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.023988 (E_RNA) where: Base-Base interactions energy: -136.732 where: short stacking energy: -59.146 Base-Backbone interact. energy: -0.614 local terms energy: -72.678188 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -16.442 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -17.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -215.190468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.190468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.190468 (E_RNA) where: Base-Base interactions energy: -148.883 where: short stacking energy: -68.650 Base-Backbone interact. energy: -0.001 local terms energy: -66.306755 where: bonds (distance) C4'-P energy: -10.996 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -17.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -212.019013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.019013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.019013 (E_RNA) where: Base-Base interactions energy: -144.617 where: short stacking energy: -60.092 Base-Backbone interact. energy: -0.003 local terms energy: -67.399503 where: bonds (distance) C4'-P energy: -10.334 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -10.724 flat angles P-C4'-P energy: -10.642 tors. eta vs tors. theta energy: -20.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -201.054516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.054516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.054516 (E_RNA) where: Base-Base interactions energy: -133.545 where: short stacking energy: -58.263 Base-Backbone interact. energy: -0.013 local terms energy: -67.496504 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -16.401 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -16.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -194.776931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.776931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.776931 (E_RNA) where: Base-Base interactions energy: -133.947 where: short stacking energy: -59.993 Base-Backbone interact. energy: -0.069 local terms energy: -60.760838 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -11.012 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -15.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -83.205480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.205480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.205480 (E_RNA) where: Base-Base interactions energy: -34.407 where: short stacking energy: -34.407 Base-Backbone interact. energy: -0.042 local terms energy: -48.756562 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -77.322181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.322181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.322181 (E_RNA) where: Base-Base interactions energy: -27.446 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.790 local terms energy: -49.085834 where: bonds (distance) C4'-P energy: -16.436 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -9.750 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -83.613024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.613024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.613024 (E_RNA) where: Base-Base interactions energy: -43.442 where: short stacking energy: -39.058 Base-Backbone interact. energy: 0.015 local terms energy: -40.185466 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -7.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -222.301348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.301348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.301348 (E_RNA) where: Base-Base interactions energy: -156.291 where: short stacking energy: -68.963 Base-Backbone interact. energy: -0.430 local terms energy: -65.580207 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -12.335 flat angles P-C4'-P energy: -8.514 tors. eta vs tors. theta energy: -19.576 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: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -218.487767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.487767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.487767 (E_RNA) where: Base-Base interactions energy: -148.006 where: short stacking energy: -64.684 Base-Backbone interact. energy: -0.006 local terms energy: -70.475383 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -11.021 tors. eta vs tors. theta energy: -18.316 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: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -209.942682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.942682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.942682 (E_RNA) where: Base-Base interactions energy: -142.983 where: short stacking energy: -61.208 Base-Backbone interact. energy: -0.037 local terms energy: -66.922681 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -15.224 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -19.318 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: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -196.273179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.273179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.273179 (E_RNA) where: Base-Base interactions energy: -133.887 where: short stacking energy: -53.697 Base-Backbone interact. energy: -0.589 local terms energy: -61.796590 where: bonds (distance) C4'-P energy: -8.388 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -17.216 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: 263 Temperature: 1.100000 Total energy: -214.883307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.883307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.883307 (E_RNA) where: Base-Base interactions energy: -142.957 where: short stacking energy: -62.148 Base-Backbone interact. energy: -0.101 local terms energy: -71.825345 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -20.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -207.999244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.999244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.999244 (E_RNA) where: Base-Base interactions energy: -142.622 where: short stacking energy: -67.176 Base-Backbone interact. energy: -0.002 local terms energy: -65.374820 where: bonds (distance) C4'-P energy: -11.300 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -9.209 flat angles P-C4'-P energy: -10.808 tors. eta vs tors. theta energy: -20.279 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: 7 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -197.457518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.457518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.457518 (E_RNA) where: Base-Base interactions energy: -133.405 where: short stacking energy: -56.107 Base-Backbone interact. energy: -0.008 local terms energy: -64.045156 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -7.681 tors. eta vs tors. theta energy: -16.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -93.781002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.781002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.781002 (E_RNA) where: Base-Base interactions energy: -47.035 where: short stacking energy: -32.822 Base-Backbone interact. energy: -0.587 local terms energy: -46.158572 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -9.996 flat angles C4'-P-C4' energy: -9.547 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -5.647 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: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -72.154766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.154766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.154766 (E_RNA) where: Base-Base interactions energy: -32.624 where: short stacking energy: -31.652 Base-Backbone interact. energy: 2.487 local terms energy: -42.018143 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -2.349 tors. eta vs tors. theta energy: -7.407 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: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -69.867572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.867572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.867572 (E_RNA) where: Base-Base interactions energy: -20.090 where: short stacking energy: -14.098 Base-Backbone interact. energy: -0.266 local terms energy: -49.512086 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -11.301 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -223.370231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.370231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.370231 (E_RNA) where: Base-Base interactions energy: -151.406 where: short stacking energy: -65.825 Base-Backbone interact. energy: -0.377 local terms energy: -71.587626 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -11.282 tors. eta vs tors. theta energy: -18.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -217.268948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.268948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.268948 (E_RNA) where: Base-Base interactions energy: -147.461 where: short stacking energy: -59.693 Base-Backbone interact. energy: -0.004 local terms energy: -69.804116 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -11.569 tors. eta vs tors. theta energy: -18.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -211.510548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.510548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.510548 (E_RNA) where: Base-Base interactions energy: -146.124 where: short stacking energy: -62.136 Base-Backbone interact. energy: 0.231 local terms energy: -65.617312 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -10.970 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -17.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -208.395754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.395754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.395754 (E_RNA) where: Base-Base interactions energy: -142.540 where: short stacking energy: -60.191 Base-Backbone interact. energy: 0.881 local terms energy: -66.736347 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -14.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -200.064121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.064121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.064121 (E_RNA) where: Base-Base interactions energy: -145.773 where: short stacking energy: -60.046 Base-Backbone interact. energy: -0.321 local terms energy: -53.970444 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -10.253 flat angles C4'-P-C4' energy: -13.894 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -13.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -198.148991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.148991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.148991 (E_RNA) where: Base-Base interactions energy: -141.279 where: short stacking energy: -63.390 Base-Backbone interact. energy: 0.823 local terms energy: -57.693161 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -15.723 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -15.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -203.216644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.216644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.216644 (E_RNA) where: Base-Base interactions energy: -134.929 where: short stacking energy: -61.902 Base-Backbone interact. energy: -0.383 local terms energy: -67.905199 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -17.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -91.802803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.802803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.802803 (E_RNA) where: Base-Base interactions energy: -34.278 where: short stacking energy: -29.858 Base-Backbone interact. energy: -0.148 local terms energy: -57.377281 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -13.431 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -76.459659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.459659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.459659 (E_RNA) where: Base-Base interactions energy: -26.756 where: short stacking energy: -25.317 Base-Backbone interact. energy: -0.267 local terms energy: -49.436950 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -10.004 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -6.301 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: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -73.463856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.463856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.463856 (E_RNA) where: Base-Base interactions energy: -25.876 where: short stacking energy: -25.431 Base-Backbone interact. energy: -0.202 local terms energy: -47.385308 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -1.494 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: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -222.838926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.838926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.838926 (E_RNA) where: Base-Base interactions energy: -150.004 where: short stacking energy: -68.357 Base-Backbone interact. energy: -0.048 local terms energy: -72.786594 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -14.205 tors. eta vs tors. theta energy: -19.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -217.926512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.926512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.926512 (E_RNA) where: Base-Base interactions energy: -144.552 where: short stacking energy: -63.738 Base-Backbone interact. energy: 0.201 local terms energy: -73.575180 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -12.059 flat angles C4'-P-C4' energy: -15.964 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -19.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -215.886807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.886807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.886807 (E_RNA) where: Base-Base interactions energy: -149.661 where: short stacking energy: -58.749 Base-Backbone interact. energy: -0.620 local terms energy: -65.605776 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -13.366 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -9.161 tors. eta vs tors. theta energy: -15.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -208.948427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.948427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.948427 (E_RNA) where: Base-Base interactions energy: -141.555 where: short stacking energy: -60.634 Base-Backbone interact. energy: -0.010 local terms energy: -67.383415 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -16.029 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -15.712 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: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -209.799065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.799065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.799065 (E_RNA) where: Base-Base interactions energy: -146.429 where: short stacking energy: -63.482 Base-Backbone interact. energy: -0.027 local terms energy: -63.342737 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -14.995 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -17.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -206.204598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.204598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.204598 (E_RNA) where: Base-Base interactions energy: -141.411 where: short stacking energy: -61.753 Base-Backbone interact. energy: -0.027 local terms energy: -64.767184 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -10.219 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -19.121 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: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -196.918109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.918109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.918109 (E_RNA) where: Base-Base interactions energy: -140.332 where: short stacking energy: -59.065 Base-Backbone interact. energy: -0.019 local terms energy: -56.566741 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -6.472 flat angles C4'-P-C4' energy: -10.911 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -18.967 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: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -90.286737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.286737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.286737 (E_RNA) where: Base-Base interactions energy: -45.156 where: short stacking energy: -38.145 Base-Backbone interact. energy: -0.202 local terms energy: -44.928886 where: bonds (distance) C4'-P energy: -7.128 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -6.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -80.043133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.043133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.043133 (E_RNA) where: Base-Base interactions energy: -24.493 where: short stacking energy: -24.352 Base-Backbone interact. energy: -0.032 local terms energy: -55.517968 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -9.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -71.744238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.744238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.744238 (E_RNA) where: Base-Base interactions energy: -27.697 where: short stacking energy: -27.697 Base-Backbone interact. energy: -0.193 local terms energy: -43.854597 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -9.498 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: 1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -224.347897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.347897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.347897 (E_RNA) where: Base-Base interactions energy: -148.281 where: short stacking energy: -66.876 Base-Backbone interact. energy: -0.054 local terms energy: -76.012649 where: bonds (distance) C4'-P energy: -16.506 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -10.962 tors. eta vs tors. theta energy: -18.338 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: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -217.963871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.963871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.963871 (E_RNA) where: Base-Base interactions energy: -144.844 where: short stacking energy: -62.498 Base-Backbone interact. energy: -0.039 local terms energy: -73.080383 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -20.053 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: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -222.107622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.107622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.107622 (E_RNA) where: Base-Base interactions energy: -150.060 where: short stacking energy: -68.106 Base-Backbone interact. energy: -0.083 local terms energy: -71.964198 where: bonds (distance) C4'-P energy: -16.204 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -19.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -210.233363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.233363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.233363 (E_RNA) where: Base-Base interactions energy: -152.424 where: short stacking energy: -64.704 Base-Backbone interact. energy: -0.025 local terms energy: -57.783918 where: bonds (distance) C4'-P energy: -14.582 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -6.438 tors. eta vs tors. theta energy: -17.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -204.897264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.897264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.897264 (E_RNA) where: Base-Base interactions energy: -140.599 where: short stacking energy: -66.511 Base-Backbone interact. energy: -2.575 local terms energy: -61.722903 where: bonds (distance) C4'-P energy: -10.284 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -11.611 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -16.228 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: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -205.256372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.256372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.256372 (E_RNA) where: Base-Base interactions energy: -142.319 where: short stacking energy: -61.310 Base-Backbone interact. energy: -0.439 local terms energy: -62.497954 where: bonds (distance) C4'-P energy: -8.705 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -18.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -196.767414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.767414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.767414 (E_RNA) where: Base-Base interactions energy: -126.833 where: short stacking energy: -52.740 Base-Backbone interact. energy: -0.251 local terms energy: -69.683458 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -13.093 tors. eta vs tors. theta energy: -16.052 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: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -89.835776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.835776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.835776 (E_RNA) where: Base-Base interactions energy: -36.256 where: short stacking energy: -36.256 Base-Backbone interact. energy: -0.023 local terms energy: -53.556584 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -11.275 flat angles C4'-P-C4' energy: -11.128 flat angles P-C4'-P energy: -11.567 tors. eta vs tors. theta energy: -11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -85.816982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.816982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.816982 (E_RNA) where: Base-Base interactions energy: -39.653 where: short stacking energy: -39.653 Base-Backbone interact. energy: -0.014 local terms energy: -46.149681 where: bonds (distance) C4'-P energy: -5.684 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -8.554 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -8.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -69.536743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.536743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.536743 (E_RNA) where: Base-Base interactions energy: -28.301 where: short stacking energy: -23.778 Base-Backbone interact. energy: -0.216 local terms energy: -41.020156 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -226.209834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.209834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.209834 (E_RNA) where: Base-Base interactions energy: -152.261 where: short stacking energy: -67.459 Base-Backbone interact. energy: -0.788 local terms energy: -73.160588 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -12.910 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -18.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -222.073926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.073926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.073926 (E_RNA) where: Base-Base interactions energy: -147.050 where: short stacking energy: -62.114 Base-Backbone interact. energy: -0.220 local terms energy: -74.804204 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -16.531 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -18.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -216.560180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.560180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.560180 (E_RNA) where: Base-Base interactions energy: -149.296 where: short stacking energy: -66.235 Base-Backbone interact. energy: -0.040 local terms energy: -67.223863 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: -18.915 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: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -205.292672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.292672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.292672 (E_RNA) where: Base-Base interactions energy: -135.930 where: short stacking energy: -54.858 Base-Backbone interact. energy: -0.000 local terms energy: -69.362056 where: bonds (distance) C4'-P energy: -12.856 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -10.329 tors. eta vs tors. theta energy: -17.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -209.649504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.649504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.649504 (E_RNA) where: Base-Base interactions energy: -143.987 where: short stacking energy: -61.732 Base-Backbone interact. energy: -2.380 local terms energy: -63.282596 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -13.062 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -18.152 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: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -205.252753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.252753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.252753 (E_RNA) where: Base-Base interactions energy: -141.092 where: short stacking energy: -52.368 Base-Backbone interact. energy: -0.528 local terms energy: -63.633181 where: bonds (distance) C4'-P energy: -13.943 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -10.670 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -13.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -199.176849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.176849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.176849 (E_RNA) where: Base-Base interactions energy: -137.503 where: short stacking energy: -63.531 Base-Backbone interact. energy: -0.099 local terms energy: -61.575319 where: bonds (distance) C4'-P energy: -10.127 bonds (distance) P-C4' energy: -12.357 flat angles C4'-P-C4' energy: -13.449 flat angles P-C4'-P energy: -10.775 tors. eta vs tors. theta energy: -14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -84.447063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.447063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.447063 (E_RNA) where: Base-Base interactions energy: -30.462 where: short stacking energy: -27.814 Base-Backbone interact. energy: 0.364 local terms energy: -54.349788 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -11.633 flat angles C4'-P-C4' energy: -10.493 flat angles P-C4'-P energy: -12.323 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -74.540869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.540869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.540869 (E_RNA) where: Base-Base interactions energy: -25.979 where: short stacking energy: -25.979 Base-Backbone interact. energy: -0.305 local terms energy: -48.256804 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -11.485 flat angles C4'-P-C4' energy: -14.686 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: 0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -78.532110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.532110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.532110 (E_RNA) where: Base-Base interactions energy: -30.811 where: short stacking energy: -30.003 Base-Backbone interact. energy: -0.154 local terms energy: -47.567254 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -9.433 flat angles C4'-P-C4' energy: -11.030 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -226.624592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.624592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.624592 (E_RNA) where: Base-Base interactions energy: -151.781 where: short stacking energy: -64.393 Base-Backbone interact. energy: -0.579 local terms energy: -74.264200 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -16.331 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -19.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -220.733473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.733473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.733473 (E_RNA) where: Base-Base interactions energy: -150.653 where: short stacking energy: -65.234 Base-Backbone interact. energy: -0.298 local terms energy: -69.782044 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -10.669 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: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -206.918204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.918204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.918204 (E_RNA) where: Base-Base interactions energy: -142.100 where: short stacking energy: -56.661 Base-Backbone interact. energy: -0.239 local terms energy: -64.578819 where: bonds (distance) C4'-P energy: -14.996 bonds (distance) P-C4' energy: -9.755 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -12.186 tors. eta vs tors. theta energy: -13.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -205.206822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.206822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.206822 (E_RNA) where: Base-Base interactions energy: -139.506 where: short stacking energy: -59.970 Base-Backbone interact. energy: -0.017 local terms energy: -65.684036 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -11.233 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -12.410 tors. eta vs tors. theta energy: -16.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -208.191889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.191889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.191889 (E_RNA) where: Base-Base interactions energy: -143.778 where: short stacking energy: -64.358 Base-Backbone interact. energy: -0.001 local terms energy: -64.412731 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -7.372 tors. eta vs tors. theta energy: -20.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -204.849858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.849858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.849858 (E_RNA) where: Base-Base interactions energy: -145.160 where: short stacking energy: -68.662 Base-Backbone interact. energy: -0.061 local terms energy: -59.628005 where: bonds (distance) C4'-P energy: -8.078 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -15.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -200.695328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.695328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.695328 (E_RNA) where: Base-Base interactions energy: -143.824 where: short stacking energy: -59.681 Base-Backbone interact. energy: -0.030 local terms energy: -56.841930 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -9.258 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -15.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -89.319723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.319723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.319723 (E_RNA) where: Base-Base interactions energy: -36.649 where: short stacking energy: -36.649 Base-Backbone interact. energy: -0.017 local terms energy: -52.653149 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -17.140 flat angles C4'-P-C4' energy: -11.903 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -6.072 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: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -80.845937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.845937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.845937 (E_RNA) where: Base-Base interactions energy: -33.745 where: short stacking energy: -33.579 Base-Backbone interact. energy: 0.369 local terms energy: -47.470227 where: bonds (distance) C4'-P energy: -7.448 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -16.092 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -75.316260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.316260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.316260 (E_RNA) where: Base-Base interactions energy: -29.617 where: short stacking energy: -28.672 Base-Backbone interact. energy: -0.092 local terms energy: -45.606637 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -222.090880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.090880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.090880 (E_RNA) where: Base-Base interactions energy: -148.398 where: short stacking energy: -69.816 Base-Backbone interact. energy: -0.028 local terms energy: -73.664915 where: bonds (distance) C4'-P energy: -12.456 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -15.122 flat angles P-C4'-P energy: -13.068 tors. eta vs tors. theta energy: -18.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -214.790726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.790726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.790726 (E_RNA) where: Base-Base interactions energy: -154.232 where: short stacking energy: -62.576 Base-Backbone interact. energy: -0.113 local terms energy: -60.445991 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -9.416 tors. eta vs tors. theta energy: -11.978 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: 269 Temperature: 1.000000 Total energy: -211.932298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.932298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.932298 (E_RNA) where: Base-Base interactions energy: -142.586 where: short stacking energy: -60.223 Base-Backbone interact. energy: -0.422 local terms energy: -68.924111 where: bonds (distance) C4'-P energy: -12.661 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: -12.127 tors. eta vs tors. theta energy: -16.677 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: 7 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -210.209081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.209081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.209081 (E_RNA) where: Base-Base interactions energy: -141.736 where: short stacking energy: -59.905 Base-Backbone interact. energy: -0.090 local terms energy: -68.382834 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -9.639 tors. eta vs tors. theta energy: -18.211 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: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -203.458851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.458851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.458851 (E_RNA) where: Base-Base interactions energy: -141.164 where: short stacking energy: -63.658 Base-Backbone interact. energy: -0.415 local terms energy: -61.879785 where: bonds (distance) C4'-P energy: -9.816 bonds (distance) P-C4' energy: -10.386 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -20.134 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: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -194.588753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.588753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.588753 (E_RNA) where: Base-Base interactions energy: -131.663 where: short stacking energy: -56.357 Base-Backbone interact. energy: -0.137 local terms energy: -62.788143 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -11.988 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -14.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -197.727246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.727246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.727246 (E_RNA) where: Base-Base interactions energy: -134.615 where: short stacking energy: -56.837 Base-Backbone interact. energy: -0.591 local terms energy: -62.520674 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -15.921 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: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -81.659488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.659488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.659488 (E_RNA) where: Base-Base interactions energy: -32.646 where: short stacking energy: -31.112 Base-Backbone interact. energy: -0.045 local terms energy: -48.968512 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -8.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -87.273856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.273856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.273856 (E_RNA) where: Base-Base interactions energy: -35.743 where: short stacking energy: -35.743 Base-Backbone interact. energy: -0.287 local terms energy: -51.243697 where: bonds (distance) C4'-P energy: -10.006 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -8.786 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -9.565 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: 269 Temperature: 1.350000 Total energy: -77.959105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.959105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.959105 (E_RNA) where: Base-Base interactions energy: -33.323 where: short stacking energy: -33.323 Base-Backbone interact. energy: 0.695 local terms energy: -45.330829 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -10.392 flat angles C4'-P-C4' energy: -10.749 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -6.351 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: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -221.414331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.414331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.414331 (E_RNA) where: Base-Base interactions energy: -146.392 where: short stacking energy: -66.450 Base-Backbone interact. energy: 0.655 local terms energy: -75.677339 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -15.257 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -20.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -223.332098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.332098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.332098 (E_RNA) where: Base-Base interactions energy: -148.543 where: short stacking energy: -58.904 Base-Backbone interact. energy: -0.064 local terms energy: -74.725501 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -12.672 tors. eta vs tors. theta energy: -18.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -211.066604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.066604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.066604 (E_RNA) where: Base-Base interactions energy: -148.862 where: short stacking energy: -57.016 Base-Backbone interact. energy: -0.049 local terms energy: -62.155950 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -9.926 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -12.085 tors. eta vs tors. theta energy: -14.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -214.060828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.060828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.060828 (E_RNA) where: Base-Base interactions energy: -147.712 where: short stacking energy: -64.850 Base-Backbone interact. energy: -0.188 local terms energy: -66.160647 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -9.285 flat angles C4'-P-C4' energy: -15.353 flat angles P-C4'-P energy: -10.743 tors. eta vs tors. theta energy: -17.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -205.928841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.928841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.928841 (E_RNA) where: Base-Base interactions energy: -145.349 where: short stacking energy: -60.812 Base-Backbone interact. energy: -0.102 local terms energy: -60.477146 where: bonds (distance) C4'-P energy: -11.335 bonds (distance) P-C4' energy: -14.726 flat angles C4'-P-C4' energy: -9.280 flat angles P-C4'-P energy: -10.205 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: 6, replica: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -202.542415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.542415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.542415 (E_RNA) where: Base-Base interactions energy: -136.818 where: short stacking energy: -60.959 Base-Backbone interact. energy: -0.819 local terms energy: -64.905215 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -17.699 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: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -170.588215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.588215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.588215 (E_RNA) where: Base-Base interactions energy: -113.365 where: short stacking energy: -48.631 Base-Backbone interact. energy: -0.042 local terms energy: -57.181919 where: bonds (distance) C4'-P energy: -9.233 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -12.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -75.270867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.270867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.270867 (E_RNA) where: Base-Base interactions energy: -33.944 where: short stacking energy: -33.944 Base-Backbone interact. energy: -0.249 local terms energy: -41.077316 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -10.045 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -89.937417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.937417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.937417 (E_RNA) where: Base-Base interactions energy: -39.377 where: short stacking energy: -31.578 Base-Backbone interact. energy: -0.127 local terms energy: -50.433503 where: bonds (distance) C4'-P energy: -10.769 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -7.827 tors. eta vs tors. theta energy: -6.246 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: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -63.819146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.819146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.819146 (E_RNA) where: Base-Base interactions energy: -33.367 where: short stacking energy: -24.945 Base-Backbone interact. energy: 0.272 local terms energy: -30.724211 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -0.359 tors. eta vs tors. theta energy: 2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -220.860855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.860855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.860855 (E_RNA) where: Base-Base interactions energy: -151.935 where: short stacking energy: -69.551 Base-Backbone interact. energy: -0.191 local terms energy: -68.734847 where: bonds (distance) C4'-P energy: -15.616 bonds (distance) P-C4' energy: -13.115 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -17.194 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: 2, replica: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -218.627930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.627930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.627930 (E_RNA) where: Base-Base interactions energy: -144.824 where: short stacking energy: -69.535 Base-Backbone interact. energy: -0.003 local terms energy: -73.801566 where: bonds (distance) C4'-P energy: -15.248 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -11.819 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: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -212.037745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.037745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.037745 (E_RNA) where: Base-Base interactions energy: -146.584 where: short stacking energy: -60.483 Base-Backbone interact. energy: -0.081 local terms energy: -65.372446 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -17.478 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: 7 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -217.506862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.506862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.506862 (E_RNA) where: Base-Base interactions energy: -145.173 where: short stacking energy: -67.248 Base-Backbone interact. energy: -0.026 local terms energy: -72.307670 where: bonds (distance) C4'-P energy: -16.035 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -15.415 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -17.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -207.595190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.595190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.595190 (E_RNA) where: Base-Base interactions energy: -138.838 where: short stacking energy: -58.712 Base-Backbone interact. energy: -0.039 local terms energy: -68.718161 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -9.737 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -13.353 tors. eta vs tors. theta energy: -15.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -165.204294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.204294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.204294 (E_RNA) where: Base-Base interactions energy: -109.081 where: short stacking energy: -46.914 Base-Backbone interact. energy: -0.080 local terms energy: -56.042679 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -9.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -197.386898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.386898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.386898 (E_RNA) where: Base-Base interactions energy: -137.657 where: short stacking energy: -61.376 Base-Backbone interact. energy: -0.003 local terms energy: -59.726245 where: bonds (distance) C4'-P energy: -11.009 bonds (distance) P-C4' energy: -11.294 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -16.726 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: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -85.715861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.715861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.715861 (E_RNA) where: Base-Base interactions energy: -35.622 where: short stacking energy: -32.988 Base-Backbone interact. energy: -0.202 local terms energy: -49.891920 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -12.675 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -3.547 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: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -77.568417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.568417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.568417 (E_RNA) where: Base-Base interactions energy: -30.304 where: short stacking energy: -30.304 Base-Backbone interact. energy: -0.075 local terms energy: -47.188616 where: bonds (distance) C4'-P energy: -7.922 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -6.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -76.868982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.868982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.868982 (E_RNA) where: Base-Base interactions energy: -30.976 where: short stacking energy: -29.945 Base-Backbone interact. energy: -0.032 local terms energy: -45.861557 where: bonds (distance) C4'-P energy: -8.657 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -9.084 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -5.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -224.016959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.016959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.016959 (E_RNA) where: Base-Base interactions energy: -148.947 where: short stacking energy: -62.659 Base-Backbone interact. energy: -0.237 local terms energy: -74.832300 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -15.084 flat angles P-C4'-P energy: -11.461 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: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -220.847963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.847963 (E_RNA) where: Base-Base interactions energy: -145.985 where: short stacking energy: -64.686 Base-Backbone interact. energy: -0.057 local terms energy: -74.805107 where: bonds (distance) C4'-P energy: -14.149 bonds (distance) P-C4' energy: -13.832 flat angles C4'-P-C4' energy: -17.058 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -20.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -212.022585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.022585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.022585 (E_RNA) where: Base-Base interactions energy: -144.653 where: short stacking energy: -62.726 Base-Backbone interact. energy: -0.077 local terms energy: -67.293225 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -15.199 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -19.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -208.465649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.465649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.465649 (E_RNA) where: Base-Base interactions energy: -141.939 where: short stacking energy: -57.299 Base-Backbone interact. energy: -0.924 local terms energy: -65.602941 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -15.877 flat angles C4'-P-C4' energy: -15.063 flat angles P-C4'-P energy: -10.234 tors. eta vs tors. theta energy: -17.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -207.626307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.626307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.626307 (E_RNA) where: Base-Base interactions energy: -140.099 where: short stacking energy: -63.189 Base-Backbone interact. energy: -0.091 local terms energy: -67.435749 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -16.722 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: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -160.781101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.781101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.781101 (E_RNA) where: Base-Base interactions energy: -106.441 where: short stacking energy: -36.080 Base-Backbone interact. energy: -0.214 local terms energy: -54.125344 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -12.040 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -7.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -208.637229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.637229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.637229 (E_RNA) where: Base-Base interactions energy: -140.835 where: short stacking energy: -55.093 Base-Backbone interact. energy: -0.113 local terms energy: -67.689096 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -13.198 tors. eta vs tors. theta energy: -13.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -82.345348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.345348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.345348 (E_RNA) where: Base-Base interactions energy: -26.268 where: short stacking energy: -26.268 Base-Backbone interact. energy: 0.022 local terms energy: -56.099638 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -74.657505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.657505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.657505 (E_RNA) where: Base-Base interactions energy: -31.098 where: short stacking energy: -31.298 Base-Backbone interact. energy: -0.314 local terms energy: -43.245608 where: bonds (distance) C4'-P energy: -14.457 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -0.412 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -72.951963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.951963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.951963 (E_RNA) where: Base-Base interactions energy: -24.976 where: short stacking energy: -23.204 Base-Backbone interact. energy: -0.008 local terms energy: -47.968214 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -8.135 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -223.038040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.038040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.038040 (E_RNA) where: Base-Base interactions energy: -146.642 where: short stacking energy: -67.041 Base-Backbone interact. energy: -0.340 local terms energy: -76.056416 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -12.281 tors. eta vs tors. theta energy: -19.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -216.768561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.768561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.768561 (E_RNA) where: Base-Base interactions energy: -142.551 where: short stacking energy: -61.442 Base-Backbone interact. energy: -0.003 local terms energy: -74.214509 where: bonds (distance) C4'-P energy: -16.113 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -9.599 tors. eta vs tors. theta energy: -20.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -212.358819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.358819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.358819 (E_RNA) where: Base-Base interactions energy: -144.712 where: short stacking energy: -68.072 Base-Backbone interact. energy: -0.046 local terms energy: -67.600271 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -18.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -205.728237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.728237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.728237 (E_RNA) where: Base-Base interactions energy: -138.974 where: short stacking energy: -63.650 Base-Backbone interact. energy: 1.701 local terms energy: -68.455808 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -14.221 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: -18.876 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: 5, replica: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -201.884537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.884537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.884537 (E_RNA) where: Base-Base interactions energy: -141.570 where: short stacking energy: -58.581 Base-Backbone interact. energy: 0.708 local terms energy: -61.022163 where: bonds (distance) C4'-P energy: -13.156 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -13.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -202.985755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.985755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.985755 (E_RNA) where: Base-Base interactions energy: -139.586 where: short stacking energy: -59.803 Base-Backbone interact. energy: -0.554 local terms energy: -62.846028 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -9.858 flat angles P-C4'-P energy: -10.135 tors. eta vs tors. theta energy: -18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -194.633203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.633203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.633203 (E_RNA) where: Base-Base interactions energy: -133.902 where: short stacking energy: -59.238 Base-Backbone interact. energy: -0.096 local terms energy: -60.635138 where: bonds (distance) C4'-P energy: -9.487 bonds (distance) P-C4' energy: -11.016 flat angles C4'-P-C4' energy: -14.608 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -16.129 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: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -77.499958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.499958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.499958 (E_RNA) where: Base-Base interactions energy: -35.678 where: short stacking energy: -25.343 Base-Backbone interact. energy: -0.265 local terms energy: -41.557486 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -9.158 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: 2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -74.473045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.473045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.473045 (E_RNA) where: Base-Base interactions energy: -32.765 where: short stacking energy: -32.765 Base-Backbone interact. energy: -0.165 local terms energy: -41.543117 where: bonds (distance) C4'-P energy: -10.252 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -142.548239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.548239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.548239 (E_RNA) where: Base-Base interactions energy: -94.349 where: short stacking energy: -39.070 Base-Backbone interact. energy: -0.263 local terms energy: -47.936231 where: bonds (distance) C4'-P energy: -8.959 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -12.485 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -6.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -222.148773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.148773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.148773 (E_RNA) where: Base-Base interactions energy: -150.186 where: short stacking energy: -67.372 Base-Backbone interact. energy: -2.003 local terms energy: -69.959424 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -16.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -215.527424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.527424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.527424 (E_RNA) where: Base-Base interactions energy: -144.166 where: short stacking energy: -59.871 Base-Backbone interact. energy: -0.023 local terms energy: -71.337907 where: bonds (distance) C4'-P energy: -12.511 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -16.722 flat angles P-C4'-P energy: -11.015 tors. eta vs tors. theta energy: -16.980 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: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -212.979962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.979962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.979962 (E_RNA) where: Base-Base interactions energy: -140.546 where: short stacking energy: -62.967 Base-Backbone interact. energy: -0.014 local terms energy: -72.419362 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -20.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -217.936973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.936973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.936973 (E_RNA) where: Base-Base interactions energy: -147.126 where: short stacking energy: -64.129 Base-Backbone interact. energy: -2.214 local terms energy: -68.596750 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -18.309 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: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -201.534860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.534860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.534860 (E_RNA) where: Base-Base interactions energy: -133.348 where: short stacking energy: -52.951 Base-Backbone interact. energy: -1.249 local terms energy: -66.937867 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -15.502 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -8.197 tors. eta vs tors. theta energy: -16.279 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: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -208.952952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.952952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.952952 (E_RNA) where: Base-Base interactions energy: -137.248 where: short stacking energy: -61.572 Base-Backbone interact. energy: -1.837 local terms energy: -69.868184 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -18.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -203.524327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.524327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.524327 (E_RNA) where: Base-Base interactions energy: -139.973 where: short stacking energy: -56.723 Base-Backbone interact. energy: -0.006 local terms energy: -63.545553 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -20.283 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: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -90.174135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.174135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.174135 (E_RNA) where: Base-Base interactions energy: -37.844 where: short stacking energy: -37.844 Base-Backbone interact. energy: -0.258 local terms energy: -52.072295 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -8.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -125.144524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.144524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.144524 (E_RNA) where: Base-Base interactions energy: -80.144 where: short stacking energy: -44.969 Base-Backbone interact. energy: 0.540 local terms energy: -45.541102 where: bonds (distance) C4'-P energy: -6.028 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -8.757 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: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -75.772528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.772528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.772528 (E_RNA) where: Base-Base interactions energy: -29.403 where: short stacking energy: -26.143 Base-Backbone interact. energy: -1.474 local terms energy: -44.896180 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -225.633969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.633969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.633969 (E_RNA) where: Base-Base interactions energy: -149.754 where: short stacking energy: -67.430 Base-Backbone interact. energy: -0.011 local terms energy: -75.869918 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -14.178 flat angles C4'-P-C4' energy: -16.085 flat angles P-C4'-P energy: -13.186 tors. eta vs tors. theta energy: -16.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -221.900253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.900253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.900253 (E_RNA) where: Base-Base interactions energy: -155.106 where: short stacking energy: -67.941 Base-Backbone interact. energy: -0.017 local terms energy: -66.777685 where: bonds (distance) C4'-P energy: -11.738 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -10.289 tors. eta vs tors. theta energy: -17.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -223.884752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.884752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.884752 (E_RNA) where: Base-Base interactions energy: -150.543 where: short stacking energy: -66.717 Base-Backbone interact. energy: -0.164 local terms energy: -73.177834 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -11.172 tors. eta vs tors. theta energy: -19.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -212.359582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.359582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.359582 (E_RNA) where: Base-Base interactions energy: -138.975 where: short stacking energy: -56.772 Base-Backbone interact. energy: -0.133 local terms energy: -73.251587 where: bonds (distance) C4'-P energy: -12.560 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -16.704 flat angles P-C4'-P energy: -9.049 tors. eta vs tors. theta energy: -18.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -208.987257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.987257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.987257 (E_RNA) where: Base-Base interactions energy: -145.389 where: short stacking energy: -64.803 Base-Backbone interact. energy: -0.015 local terms energy: -63.582868 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -15.580 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -18.737 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: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -195.106637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.106637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.106637 (E_RNA) where: Base-Base interactions energy: -138.709 where: short stacking energy: -56.821 Base-Backbone interact. energy: -0.078 local terms energy: -56.320019 where: bonds (distance) C4'-P energy: -8.599 bonds (distance) P-C4' energy: -12.013 flat angles C4'-P-C4' energy: -9.968 flat angles P-C4'-P energy: -9.824 tors. eta vs tors. theta energy: -15.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -202.149269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.149269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.149269 (E_RNA) where: Base-Base interactions energy: -136.500 where: short stacking energy: -59.266 Base-Backbone interact. energy: -0.251 local terms energy: -65.398036 where: bonds (distance) C4'-P energy: -10.052 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -126.430905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.430905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.430905 (E_RNA) where: Base-Base interactions energy: -74.697 where: short stacking energy: -38.309 Base-Backbone interact. energy: -0.051 local terms energy: -51.683022 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -7.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -68.885650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.885650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.885650 (E_RNA) where: Base-Base interactions energy: -21.806 where: short stacking energy: -21.806 Base-Backbone interact. energy: -0.337 local terms energy: -46.742725 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -3.216 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: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -70.009654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.009654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.009654 (E_RNA) where: Base-Base interactions energy: -32.016 where: short stacking energy: -30.350 Base-Backbone interact. energy: 0.586 local terms energy: -38.579475 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -7.476 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -224.275340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.275340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.275340 (E_RNA) where: Base-Base interactions energy: -148.612 where: short stacking energy: -66.786 Base-Backbone interact. energy: -0.032 local terms energy: -75.632283 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -16.006 flat angles P-C4'-P energy: -12.243 tors. eta vs tors. theta energy: -17.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -216.292675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.292675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.292675 (E_RNA) where: Base-Base interactions energy: -147.409 where: short stacking energy: -64.598 Base-Backbone interact. energy: -0.069 local terms energy: -68.814481 where: bonds (distance) C4'-P energy: -14.079 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -13.965 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -17.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -217.103556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.103556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.103556 (E_RNA) where: Base-Base interactions energy: -153.390 where: short stacking energy: -68.276 Base-Backbone interact. energy: -0.045 local terms energy: -63.668548 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -8.671 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -21.733 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: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -220.807744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.807744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.807744 (E_RNA) where: Base-Base interactions energy: -150.256 where: short stacking energy: -62.664 Base-Backbone interact. energy: -0.225 local terms energy: -70.326962 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -12.036 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -20.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -213.850507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.850507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.850507 (E_RNA) where: Base-Base interactions energy: -148.309 where: short stacking energy: -65.059 Base-Backbone interact. energy: -0.123 local terms energy: -65.418554 where: bonds (distance) C4'-P energy: -10.309 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -10.060 tors. eta vs tors. theta energy: -17.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -204.495094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.495094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.495094 (E_RNA) where: Base-Base interactions energy: -136.619 where: short stacking energy: -58.681 Base-Backbone interact. energy: -0.002 local terms energy: -67.873301 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -11.290 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -17.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -192.921544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.921544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.921544 (E_RNA) where: Base-Base interactions energy: -131.294 where: short stacking energy: -51.125 Base-Backbone interact. energy: -0.018 local terms energy: -61.609503 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -11.405 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: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -125.389380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.389380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.389380 (E_RNA) where: Base-Base interactions energy: -79.090 where: short stacking energy: -38.979 Base-Backbone interact. energy: -0.213 local terms energy: -46.086529 where: bonds (distance) C4'-P energy: -9.151 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -9.622 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -10.275 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: 276 Temperature: 1.300000 Total energy: -68.385760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.385760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.385760 (E_RNA) where: Base-Base interactions energy: -28.508 where: short stacking energy: -27.156 Base-Backbone interact. energy: -0.189 local terms energy: -39.688394 where: bonds (distance) C4'-P energy: -7.857 bonds (distance) P-C4' energy: -8.505 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -0.484 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: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -75.349874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.349874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.349874 (E_RNA) where: Base-Base interactions energy: -25.519 where: short stacking energy: -23.336 Base-Backbone interact. energy: -0.082 local terms energy: -49.748489 where: bonds (distance) C4'-P energy: -14.801 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -8.117 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -220.075461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.075461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.075461 (E_RNA) where: Base-Base interactions energy: -151.414 where: short stacking energy: -64.374 Base-Backbone interact. energy: -0.102 local terms energy: -68.559150 where: bonds (distance) C4'-P energy: -11.016 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -12.908 tors. eta vs tors. theta energy: -17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -216.891967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.891967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.891967 (E_RNA) where: Base-Base interactions energy: -148.056 where: short stacking energy: -63.502 Base-Backbone interact. energy: -0.036 local terms energy: -68.799598 where: bonds (distance) C4'-P energy: -14.338 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -14.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -214.077407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.077407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.077407 (E_RNA) where: Base-Base interactions energy: -143.761 where: short stacking energy: -65.431 Base-Backbone interact. energy: -0.009 local terms energy: -70.307974 where: bonds (distance) C4'-P energy: -12.346 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -16.864 flat angles P-C4'-P energy: -8.994 tors. eta vs tors. theta energy: -19.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -212.016336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.016336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.016336 (E_RNA) where: Base-Base interactions energy: -148.574 where: short stacking energy: -68.769 Base-Backbone interact. energy: -0.212 local terms energy: -63.230637 where: bonds (distance) C4'-P energy: -8.202 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -8.369 tors. eta vs tors. theta energy: -18.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -206.439721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.439721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.439721 (E_RNA) where: Base-Base interactions energy: -135.184 where: short stacking energy: -50.915 Base-Backbone interact. energy: -2.429 local terms energy: -68.826623 where: bonds (distance) C4'-P energy: -10.503 bonds (distance) P-C4' energy: -16.824 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -17.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -203.369731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.369731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.369731 (E_RNA) where: Base-Base interactions energy: -142.569 where: short stacking energy: -65.105 Base-Backbone interact. energy: -0.383 local terms energy: -60.417613 where: bonds (distance) C4'-P energy: -8.372 bonds (distance) P-C4' energy: -9.432 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -20.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -190.093161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.093161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.093161 (E_RNA) where: Base-Base interactions energy: -132.629 where: short stacking energy: -53.520 Base-Backbone interact. energy: -0.009 local terms energy: -57.454819 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -9.851 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -19.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -76.538072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.538072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.538072 (E_RNA) where: Base-Base interactions energy: -28.686 where: short stacking energy: -28.686 Base-Backbone interact. energy: -0.893 local terms energy: -46.958490 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -5.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -72.255319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.255319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.255319 (E_RNA) where: Base-Base interactions energy: -30.245 where: short stacking energy: -30.245 Base-Backbone interact. energy: -0.130 local terms energy: -41.880020 where: bonds (distance) C4'-P energy: -9.535 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -71.170116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.170116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.170116 (E_RNA) where: Base-Base interactions energy: -24.975 where: short stacking energy: -24.876 Base-Backbone interact. energy: -0.116 local terms energy: -46.078931 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -12.181 flat angles C4'-P-C4' energy: -10.544 flat angles P-C4'-P energy: -2.085 tors. eta vs tors. theta energy: -7.014 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: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -221.267516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.267516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.267516 (E_RNA) where: Base-Base interactions energy: -151.571 where: short stacking energy: -70.192 Base-Backbone interact. energy: -0.080 local terms energy: -69.616242 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -9.959 tors. eta vs tors. theta energy: -21.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -221.544428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.544428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.544428 (E_RNA) where: Base-Base interactions energy: -154.984 where: short stacking energy: -70.696 Base-Backbone interact. energy: -0.157 local terms energy: -66.403767 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -21.506 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: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -215.800280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.800280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.800280 (E_RNA) where: Base-Base interactions energy: -144.059 where: short stacking energy: -66.625 Base-Backbone interact. energy: -0.022 local terms energy: -71.718799 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.088 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -19.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -207.656654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.656654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.656654 (E_RNA) where: Base-Base interactions energy: -145.289 where: short stacking energy: -57.660 Base-Backbone interact. energy: -0.178 local terms energy: -62.189377 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -13.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -210.602374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.602374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.602374 (E_RNA) where: Base-Base interactions energy: -139.241 where: short stacking energy: -64.154 Base-Backbone interact. energy: -0.001 local terms energy: -71.360954 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -12.498 flat angles C4'-P-C4' energy: -15.089 flat angles P-C4'-P energy: -12.186 tors. eta vs tors. theta energy: -16.919 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: 278 Temperature: 1.150000 Total energy: -203.997623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.997623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.997623 (E_RNA) where: Base-Base interactions energy: -137.233 where: short stacking energy: -64.621 Base-Backbone interact. energy: -0.010 local terms energy: -66.755188 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -18.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -202.035502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.035502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.035502 (E_RNA) where: Base-Base interactions energy: -137.040 where: short stacking energy: -60.469 Base-Backbone interact. energy: -0.826 local terms energy: -64.169370 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -13.910 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -10.945 tors. eta vs tors. theta energy: -14.693 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: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -76.281322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.281322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.281322 (E_RNA) where: Base-Base interactions energy: -34.403 where: short stacking energy: -25.671 Base-Backbone interact. energy: -0.188 local terms energy: -41.689872 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -10.694 tors. eta vs tors. theta energy: 0.795 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: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -72.334219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.334219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.334219 (E_RNA) where: Base-Base interactions energy: -30.324 where: short stacking energy: -12.638 Base-Backbone interact. energy: -1.130 local terms energy: -40.879778 where: bonds (distance) C4'-P energy: -9.046 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -86.570812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.570812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.570812 (E_RNA) where: Base-Base interactions energy: -33.458 where: short stacking energy: -31.943 Base-Backbone interact. energy: -0.021 local terms energy: -53.092182 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -8.255 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: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -224.250458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.250458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.250458 (E_RNA) where: Base-Base interactions energy: -145.979 where: short stacking energy: -66.161 Base-Backbone interact. energy: -0.024 local terms energy: -78.247858 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -16.428 flat angles C4'-P-C4' energy: -16.116 flat angles P-C4'-P energy: -11.453 tors. eta vs tors. theta energy: -19.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -221.333586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.333586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.333586 (E_RNA) where: Base-Base interactions energy: -151.263 where: short stacking energy: -66.398 Base-Backbone interact. energy: -0.013 local terms energy: -70.056668 where: bonds (distance) C4'-P energy: -12.065 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -19.743 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: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -213.738078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.738078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.738078 (E_RNA) where: Base-Base interactions energy: -145.922 where: short stacking energy: -60.370 Base-Backbone interact. energy: -0.008 local terms energy: -67.808054 where: bonds (distance) C4'-P energy: -11.442 bonds (distance) P-C4' energy: -15.197 flat angles C4'-P-C4' energy: -16.395 flat angles P-C4'-P energy: -10.115 tors. eta vs tors. theta energy: -14.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -203.670929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.670929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.670929 (E_RNA) where: Base-Base interactions energy: -144.436 where: short stacking energy: -59.464 Base-Backbone interact. energy: -0.039 local terms energy: -59.196182 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -9.719 flat angles P-C4'-P energy: -10.538 tors. eta vs tors. theta energy: -12.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -201.513251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.513251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.513251 (E_RNA) where: Base-Base interactions energy: -141.450 where: short stacking energy: -60.573 Base-Backbone interact. energy: 0.066 local terms energy: -60.129988 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -14.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -205.462019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.462019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.462019 (E_RNA) where: Base-Base interactions energy: -147.520 where: short stacking energy: -67.600 Base-Backbone interact. energy: -0.005 local terms energy: -57.937602 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -13.654 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -21.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -204.877326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.877326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.877326 (E_RNA) where: Base-Base interactions energy: -142.309 where: short stacking energy: -59.974 Base-Backbone interact. energy: 0.081 local terms energy: -62.650075 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -9.882 flat angles P-C4'-P energy: -10.313 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: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -82.153940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.153940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.153940 (E_RNA) where: Base-Base interactions energy: -39.444 where: short stacking energy: -39.444 Base-Backbone interact. energy: -0.026 local terms energy: -42.684372 where: bonds (distance) C4'-P energy: -15.919 bonds (distance) P-C4' energy: -10.139 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -4.096 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: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -87.422669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.422669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.422669 (E_RNA) where: Base-Base interactions energy: -32.118 where: short stacking energy: -29.302 Base-Backbone interact. energy: -0.154 local terms energy: -55.150562 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -14.429 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -7.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -73.482844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.482844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.482844 (E_RNA) where: Base-Base interactions energy: -32.550 where: short stacking energy: -32.550 Base-Backbone interact. energy: -0.149 local terms energy: -40.784057 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -220.090948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.090948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.090948 (E_RNA) where: Base-Base interactions energy: -150.831 where: short stacking energy: -66.907 Base-Backbone interact. energy: -0.038 local terms energy: -69.221916 where: bonds (distance) C4'-P energy: -11.613 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -19.122 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: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -223.198519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.198519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.198519 (E_RNA) where: Base-Base interactions energy: -153.556 where: short stacking energy: -69.886 Base-Backbone interact. energy: -0.932 local terms energy: -68.710836 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -21.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -210.934476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.934476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.934476 (E_RNA) where: Base-Base interactions energy: -146.937 where: short stacking energy: -60.371 Base-Backbone interact. energy: -0.606 local terms energy: -63.391511 where: bonds (distance) C4'-P energy: -8.976 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -9.635 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -206.186435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.186435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.186435 (E_RNA) where: Base-Base interactions energy: -140.273 where: short stacking energy: -58.388 Base-Backbone interact. energy: -0.667 local terms energy: -65.245867 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -17.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -213.423059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.423059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.423059 (E_RNA) where: Base-Base interactions energy: -143.079 where: short stacking energy: -65.059 Base-Backbone interact. energy: -0.000 local terms energy: -70.343759 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -20.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -196.338612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.338612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.338612 (E_RNA) where: Base-Base interactions energy: -129.647 where: short stacking energy: -50.741 Base-Backbone interact. energy: -0.642 local terms energy: -66.049616 where: bonds (distance) C4'-P energy: -10.485 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -11.158 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: 7, replica: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -202.783224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.783224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.783224 (E_RNA) where: Base-Base interactions energy: -135.408 where: short stacking energy: -54.788 Base-Backbone interact. energy: -0.621 local terms energy: -66.754132 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -11.899 tors. eta vs tors. theta energy: -14.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -84.524570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.524570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.524570 (E_RNA) where: Base-Base interactions energy: -37.792 where: short stacking energy: -27.076 Base-Backbone interact. energy: 0.679 local terms energy: -47.410992 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -12.399 flat angles C4'-P-C4' energy: -14.611 flat angles P-C4'-P energy: -7.949 tors. eta vs tors. theta energy: 0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -73.271526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.271526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.271526 (E_RNA) where: Base-Base interactions energy: -28.907 where: short stacking energy: -28.907 Base-Backbone interact. energy: 0.139 local terms energy: -44.503952 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -7.421 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -10.398 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -75.683140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.683140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.683140 (E_RNA) where: Base-Base interactions energy: -33.118 where: short stacking energy: -26.648 Base-Backbone interact. energy: -0.052 local terms energy: -42.513433 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.708 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -4.773 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: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -216.358916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.358916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.358916 (E_RNA) where: Base-Base interactions energy: -148.758 where: short stacking energy: -64.282 Base-Backbone interact. energy: -0.276 local terms energy: -67.325342 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -11.513 flat angles P-C4'-P energy: -10.955 tors. eta vs tors. theta energy: -16.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -224.815317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.815317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.815317 (E_RNA) where: Base-Base interactions energy: -151.516 where: short stacking energy: -73.036 Base-Backbone interact. energy: 1.944 local terms energy: -75.243261 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -15.449 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -21.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -209.797193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.797193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.797193 (E_RNA) where: Base-Base interactions energy: -151.424 where: short stacking energy: -55.934 Base-Backbone interact. energy: -0.210 local terms energy: -58.163385 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -6.691 tors. eta vs tors. theta energy: -14.032 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: 281 Temperature: 1.050000 Total energy: -212.273796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.273796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.273796 (E_RNA) where: Base-Base interactions energy: -143.864 where: short stacking energy: -63.376 Base-Backbone interact. energy: -0.062 local terms energy: -68.348494 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -17.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -203.175204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.175204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.175204 (E_RNA) where: Base-Base interactions energy: -132.893 where: short stacking energy: -54.734 Base-Backbone interact. energy: -0.334 local terms energy: -69.948125 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -12.331 tors. eta vs tors. theta energy: -15.158 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: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -213.742941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.742941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.742941 (E_RNA) where: Base-Base interactions energy: -148.105 where: short stacking energy: -64.803 Base-Backbone interact. energy: -0.006 local terms energy: -65.631742 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -19.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -196.330563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.330563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.330563 (E_RNA) where: Base-Base interactions energy: -143.312 where: short stacking energy: -60.771 Base-Backbone interact. energy: -0.200 local terms energy: -52.818422 where: bonds (distance) C4'-P energy: -7.660 bonds (distance) P-C4' energy: -9.687 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -15.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -92.626469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.626469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.626469 (E_RNA) where: Base-Base interactions energy: -40.676 where: short stacking energy: -31.533 Base-Backbone interact. energy: -0.061 local terms energy: -51.890066 where: bonds (distance) C4'-P energy: -12.661 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -14.699 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -6.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -83.145104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.145104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.145104 (E_RNA) where: Base-Base interactions energy: -26.652 where: short stacking energy: -25.452 Base-Backbone interact. energy: -0.133 local terms energy: -56.359729 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -13.475 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -6.814 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: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -71.760142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.760142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.760142 (E_RNA) where: Base-Base interactions energy: -27.114 where: short stacking energy: -21.156 Base-Backbone interact. energy: -0.078 local terms energy: -44.567942 where: bonds (distance) C4'-P energy: -14.373 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -225.728908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.728908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.728908 (E_RNA) where: Base-Base interactions energy: -150.419 where: short stacking energy: -67.042 Base-Backbone interact. energy: -2.596 local terms energy: -72.713791 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -20.313 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: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -221.146045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.146045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.146045 (E_RNA) where: Base-Base interactions energy: -147.643 where: short stacking energy: -63.890 Base-Backbone interact. energy: -0.230 local terms energy: -73.273348 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -15.472 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -20.662 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: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -213.939097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.939097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.939097 (E_RNA) where: Base-Base interactions energy: -145.780 where: short stacking energy: -62.060 Base-Backbone interact. energy: -0.228 local terms energy: -67.931179 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -14.835 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -14.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -205.730477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.730477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.730477 (E_RNA) where: Base-Base interactions energy: -144.468 where: short stacking energy: -57.578 Base-Backbone interact. energy: -1.361 local terms energy: -59.901379 where: bonds (distance) C4'-P energy: -7.522 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -14.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -204.318907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.318907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.318907 (E_RNA) where: Base-Base interactions energy: -141.858 where: short stacking energy: -56.908 Base-Backbone interact. energy: -0.409 local terms energy: -62.051647 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -9.512 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -16.228 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: 282 Temperature: 1.150000 Total energy: -206.489071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.489071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.489071 (E_RNA) where: Base-Base interactions energy: -144.848 where: short stacking energy: -60.716 Base-Backbone interact. energy: -0.114 local terms energy: -61.527118 where: bonds (distance) C4'-P energy: -10.552 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -11.720 flat angles P-C4'-P energy: -11.839 tors. eta vs tors. theta energy: -14.360 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: 7, replica: 3 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -199.772777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.772777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.772777 (E_RNA) where: Base-Base interactions energy: -135.988 where: short stacking energy: -62.255 Base-Backbone interact. energy: -0.006 local terms energy: -63.779612 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -17.773 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: 282 Temperature: 1.250000 Total energy: -81.101660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.101660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.101660 (E_RNA) where: Base-Base interactions energy: -31.064 where: short stacking energy: -31.164 Base-Backbone interact. energy: -1.429 local terms energy: -48.608610 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -12.680 flat angles C4'-P-C4' energy: -14.592 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -2.944 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: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -90.215932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.215932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.215932 (E_RNA) where: Base-Base interactions energy: -35.733 where: short stacking energy: -35.733 Base-Backbone interact. energy: 1.088 local terms energy: -55.571429 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -4.515 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: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -85.055796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.055796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.055796 (E_RNA) where: Base-Base interactions energy: -32.730 where: short stacking energy: -28.550 Base-Backbone interact. energy: -0.041 local terms energy: -52.285322 where: bonds (distance) C4'-P energy: -11.745 bonds (distance) P-C4' energy: -11.759 flat angles C4'-P-C4' energy: -9.421 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -8.998 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: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -218.852048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.852048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.852048 (E_RNA) where: Base-Base interactions energy: -152.671 where: short stacking energy: -68.357 Base-Backbone interact. energy: -0.000 local terms energy: -66.180843 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -13.203 flat angles C4'-P-C4' energy: -11.520 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -21.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -220.863427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.863427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.863427 (E_RNA) where: Base-Base interactions energy: -153.307 where: short stacking energy: -72.101 Base-Backbone interact. energy: -0.284 local terms energy: -67.272409 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -10.523 flat angles P-C4'-P energy: -13.821 tors. eta vs tors. theta energy: -21.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -219.364952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.364952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.364952 (E_RNA) where: Base-Base interactions energy: -153.438 where: short stacking energy: -73.839 Base-Backbone interact. energy: -0.281 local terms energy: -65.646203 where: bonds (distance) C4'-P energy: -9.523 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -12.464 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -21.325 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: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -219.950904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.950904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.950904 (E_RNA) where: Base-Base interactions energy: -151.045 where: short stacking energy: -67.036 Base-Backbone interact. energy: -0.001 local terms energy: -68.905472 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -19.246 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: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -216.441300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.441300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.441300 (E_RNA) where: Base-Base interactions energy: -143.750 where: short stacking energy: -60.585 Base-Backbone interact. energy: -0.478 local terms energy: -72.213375 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -15.824 flat angles P-C4'-P energy: -12.321 tors. eta vs tors. theta energy: -19.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -197.534909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.534909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.534909 (E_RNA) where: Base-Base interactions energy: -138.979 where: short stacking energy: -59.004 Base-Backbone interact. energy: -0.075 local terms energy: -58.480287 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -10.524 flat angles C4'-P-C4' energy: -10.538 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -16.380 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: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -217.446380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.446380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.446380 (E_RNA) where: Base-Base interactions energy: -151.140 where: short stacking energy: -66.351 Base-Backbone interact. energy: -0.305 local terms energy: -66.000877 where: bonds (distance) C4'-P energy: -14.391 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -8.351 tors. eta vs tors. theta energy: -16.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -76.121967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.121967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.121967 (E_RNA) where: Base-Base interactions energy: -39.331 where: short stacking energy: -35.722 Base-Backbone interact. energy: -0.637 local terms energy: -36.154406 where: bonds (distance) C4'-P energy: -9.699 bonds (distance) P-C4' energy: -10.160 flat angles C4'-P-C4' energy: -9.690 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: 0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -84.624191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.624191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.624191 (E_RNA) where: Base-Base interactions energy: -39.603 where: short stacking energy: -34.411 Base-Backbone interact. energy: 0.956 local terms energy: -45.977849 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -12.332 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: -5.150 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: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -65.377349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.377349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.377349 (E_RNA) where: Base-Base interactions energy: -25.622 where: short stacking energy: -25.622 Base-Backbone interact. energy: -0.016 local terms energy: -39.739439 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -226.286848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.286848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.286848 (E_RNA) where: Base-Base interactions energy: -149.170 where: short stacking energy: -68.193 Base-Backbone interact. energy: -0.006 local terms energy: -77.110816 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -15.407 flat angles P-C4'-P energy: -12.028 tors. eta vs tors. theta energy: -18.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -219.571332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.571332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.571332 (E_RNA) where: Base-Base interactions energy: -147.440 where: short stacking energy: -61.154 Base-Backbone interact. energy: -0.001 local terms energy: -72.130371 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -19.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -209.875105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.875105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.875105 (E_RNA) where: Base-Base interactions energy: -144.895 where: short stacking energy: -58.848 Base-Backbone interact. energy: -0.655 local terms energy: -64.325425 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -16.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -213.249856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.249856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.249856 (E_RNA) where: Base-Base interactions energy: -143.680 where: short stacking energy: -66.503 Base-Backbone interact. energy: -0.051 local terms energy: -69.518643 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -15.580 flat angles P-C4'-P energy: -9.303 tors. eta vs tors. theta energy: -18.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -200.682947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.682947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.682947 (E_RNA) where: Base-Base interactions energy: -143.915 where: short stacking energy: -54.137 Base-Backbone interact. energy: -0.055 local terms energy: -56.713275 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -9.995 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -12.803 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: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -208.096187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.096187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.096187 (E_RNA) where: Base-Base interactions energy: -138.897 where: short stacking energy: -63.125 Base-Backbone interact. energy: -0.031 local terms energy: -69.168291 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -11.451 tors. eta vs tors. theta energy: -18.040 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: 284 Temperature: 1.200000 Total energy: -188.584813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.584813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.584813 (E_RNA) where: Base-Base interactions energy: -133.424 where: short stacking energy: -52.833 Base-Backbone interact. energy: -0.010 local terms energy: -55.149928 where: bonds (distance) C4'-P energy: -12.606 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -9.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -78.353084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.353084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.353084 (E_RNA) where: Base-Base interactions energy: -38.238 where: short stacking energy: -29.368 Base-Backbone interact. energy: -0.064 local terms energy: -40.050900 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -10.022 flat angles C4'-P-C4' energy: -9.278 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -1.181 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: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -75.901768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.901768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.901768 (E_RNA) where: Base-Base interactions energy: -33.050 where: short stacking energy: -31.052 Base-Backbone interact. energy: 0.065 local terms energy: -42.916903 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -9.458 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -67.081133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.081133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.081133 (E_RNA) where: Base-Base interactions energy: -21.568 where: short stacking energy: -20.100 Base-Backbone interact. energy: 0.446 local terms energy: -45.959181 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -11.246 tors. eta vs tors. theta energy: 1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -221.355233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.355233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.355233 (E_RNA) where: Base-Base interactions energy: -146.225 where: short stacking energy: -65.924 Base-Backbone interact. energy: -0.008 local terms energy: -75.122251 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -15.435 flat angles P-C4'-P energy: -11.300 tors. eta vs tors. theta energy: -19.129 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: 2, replica: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -211.132123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.132123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.132123 (E_RNA) where: Base-Base interactions energy: -144.901 where: short stacking energy: -61.127 Base-Backbone interact. energy: -0.213 local terms energy: -66.018902 where: bonds (distance) C4'-P energy: -12.967 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -11.954 flat angles P-C4'-P energy: -11.584 tors. eta vs tors. theta energy: -17.127 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: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -215.524341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.524341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.524341 (E_RNA) where: Base-Base interactions energy: -148.319 where: short stacking energy: -65.892 Base-Backbone interact. energy: -0.069 local terms energy: -67.136022 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -11.949 flat angles C4'-P-C4' energy: -14.114 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -20.189 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: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -221.023456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.023456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.023456 (E_RNA) where: Base-Base interactions energy: -152.740 where: short stacking energy: -65.623 Base-Backbone interact. energy: -0.213 local terms energy: -68.070168 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -14.946 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -16.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -201.272612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.272612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.272612 (E_RNA) where: Base-Base interactions energy: -139.260 where: short stacking energy: -60.078 Base-Backbone interact. energy: -0.164 local terms energy: -61.848919 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -8.337 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: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -203.616828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.616828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.616828 (E_RNA) where: Base-Base interactions energy: -139.590 where: short stacking energy: -55.139 Base-Backbone interact. energy: -0.187 local terms energy: -63.839769 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -10.348 tors. eta vs tors. theta energy: -17.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -201.091782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.091782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.091782 (E_RNA) where: Base-Base interactions energy: -135.414 where: short stacking energy: -54.283 Base-Backbone interact. energy: -0.617 local terms energy: -65.061314 where: bonds (distance) C4'-P energy: -11.376 bonds (distance) P-C4' energy: -13.260 flat angles C4'-P-C4' energy: -15.276 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -15.184 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: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -81.271322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.271322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.271322 (E_RNA) where: Base-Base interactions energy: -41.894 where: short stacking energy: -37.279 Base-Backbone interact. energy: -0.277 local terms energy: -39.099937 where: bonds (distance) C4'-P energy: -8.572 bonds (distance) P-C4' energy: -9.981 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: -5.064 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: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -87.665606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.665606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.665606 (E_RNA) where: Base-Base interactions energy: -34.403 where: short stacking energy: -31.319 Base-Backbone interact. energy: -0.009 local terms energy: -53.253694 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -9.888 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -75.306521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.306521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.306521 (E_RNA) where: Base-Base interactions energy: -27.853 where: short stacking energy: -27.853 Base-Backbone interact. energy: 1.208 local terms energy: -48.660636 where: bonds (distance) C4'-P energy: -10.114 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -218.391514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.391514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.391514 (E_RNA) where: Base-Base interactions energy: -148.756 where: short stacking energy: -65.563 Base-Backbone interact. energy: -0.121 local terms energy: -69.514973 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -13.488 flat angles C4'-P-C4' energy: -16.425 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -214.084983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.084983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.084983 (E_RNA) where: Base-Base interactions energy: -150.344 where: short stacking energy: -66.674 Base-Backbone interact. energy: -0.008 local terms energy: -63.732926 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -19.057 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: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -213.410846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.410846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.410846 (E_RNA) where: Base-Base interactions energy: -144.491 where: short stacking energy: -58.384 Base-Backbone interact. energy: -0.091 local terms energy: -68.828051 where: bonds (distance) C4'-P energy: -14.031 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -15.016 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: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -207.856319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.856319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.856319 (E_RNA) where: Base-Base interactions energy: -134.973 where: short stacking energy: -55.288 Base-Backbone interact. energy: -0.225 local terms energy: -72.658014 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -10.999 tors. eta vs tors. theta energy: -18.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -214.116074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.116074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.116074 (E_RNA) where: Base-Base interactions energy: -142.314 where: short stacking energy: -59.030 Base-Backbone interact. energy: -0.000 local terms energy: -71.802114 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -15.890 flat angles P-C4'-P energy: -9.601 tors. eta vs tors. theta energy: -19.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -204.220918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.220918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.220918 (E_RNA) where: Base-Base interactions energy: -141.507 where: short stacking energy: -61.297 Base-Backbone interact. energy: -0.004 local terms energy: -62.710553 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -11.459 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -17.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -193.642762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.642762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.642762 (E_RNA) where: Base-Base interactions energy: -134.187 where: short stacking energy: -57.401 Base-Backbone interact. energy: -0.151 local terms energy: -59.304136 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -10.950 flat angles C4'-P-C4' energy: -15.603 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -84.530458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.530458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.530458 (E_RNA) where: Base-Base interactions energy: -37.517 where: short stacking energy: -21.731 Base-Backbone interact. energy: -0.164 local terms energy: -46.849634 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -10.074 flat angles P-C4'-P energy: -12.081 tors. eta vs tors. theta energy: -1.909 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: 286 Temperature: 1.300000 Total energy: -88.463507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.463507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.463507 (E_RNA) where: Base-Base interactions energy: -33.000 where: short stacking energy: -33.000 Base-Backbone interact. energy: -0.049 local terms energy: -55.413779 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -9.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -74.223112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.223112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.223112 (E_RNA) where: Base-Base interactions energy: -30.594 where: short stacking energy: -29.618 Base-Backbone interact. energy: -0.116 local terms energy: -43.513784 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -11.553 flat angles C4'-P-C4' energy: -9.616 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -214.826253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.826253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.826253 (E_RNA) where: Base-Base interactions energy: -143.486 where: short stacking energy: -64.395 Base-Backbone interact. energy: -0.028 local terms energy: -71.312214 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -16.193 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -17.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -211.445854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.445854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.445854 (E_RNA) where: Base-Base interactions energy: -145.458 where: short stacking energy: -61.375 Base-Backbone interact. energy: -0.018 local terms energy: -65.970034 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -14.081 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: 287 Temperature: 1.000000 Total energy: -218.729572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.729572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.729572 (E_RNA) where: Base-Base interactions energy: -143.821 where: short stacking energy: -65.436 Base-Backbone interact. energy: -0.040 local terms energy: -74.868284 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -15.255 flat angles P-C4'-P energy: -11.632 tors. eta vs tors. theta energy: -19.619 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: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -204.305488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.305488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.305488 (E_RNA) where: Base-Base interactions energy: -139.117 where: short stacking energy: -59.790 Base-Backbone interact. energy: -0.012 local terms energy: -65.175766 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -10.748 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -17.436 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: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -209.200079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.200079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.200079 (E_RNA) where: Base-Base interactions energy: -140.289 where: short stacking energy: -62.801 Base-Backbone interact. energy: -0.009 local terms energy: -68.901822 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -16.598 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -18.025 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: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -206.983513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.983513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.983513 (E_RNA) where: Base-Base interactions energy: -136.947 where: short stacking energy: -57.101 Base-Backbone interact. energy: -0.537 local terms energy: -69.499313 where: bonds (distance) C4'-P energy: -12.908 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -12.746 tors. eta vs tors. theta energy: -17.540 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: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -194.409198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.409198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.409198 (E_RNA) where: Base-Base interactions energy: -133.756 where: short stacking energy: -60.983 Base-Backbone interact. energy: 1.044 local terms energy: -61.697352 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -18.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -83.110599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.110599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.110599 (E_RNA) where: Base-Base interactions energy: -36.359 where: short stacking energy: -32.397 Base-Backbone interact. energy: 0.972 local terms energy: -47.723105 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -11.741 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -6.602 tors. eta vs tors. theta energy: -6.825 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: 9, replica: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -71.059761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.059761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.059761 (E_RNA) where: Base-Base interactions energy: -19.218 where: short stacking energy: -19.218 Base-Backbone interact. energy: 0.077 local terms energy: -51.918467 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -74.164009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.164009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.164009 (E_RNA) where: Base-Base interactions energy: -30.577 where: short stacking energy: -28.164 Base-Backbone interact. energy: -0.151 local terms energy: -43.436052 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -11.366 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -217.830223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.830223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.830223 (E_RNA) where: Base-Base interactions energy: -151.787 where: short stacking energy: -62.085 Base-Backbone interact. energy: -1.500 local terms energy: -64.543499 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -14.561 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -14.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -212.971812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.971812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.971812 (E_RNA) where: Base-Base interactions energy: -147.569 where: short stacking energy: -59.178 Base-Backbone interact. energy: -0.001 local terms energy: -65.401738 where: bonds (distance) C4'-P energy: -9.891 bonds (distance) P-C4' energy: -13.707 flat angles C4'-P-C4' energy: -15.198 flat angles P-C4'-P energy: -8.297 tors. eta vs tors. theta energy: -18.310 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: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -214.403528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.403528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.403528 (E_RNA) where: Base-Base interactions energy: -147.534 where: short stacking energy: -65.188 Base-Backbone interact. energy: -0.993 local terms energy: -65.875734 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -11.157 tors. eta vs tors. theta energy: -17.814 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: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -210.802828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.802828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.802828 (E_RNA) where: Base-Base interactions energy: -145.740 where: short stacking energy: -54.846 Base-Backbone interact. energy: -0.227 local terms energy: -64.835449 where: bonds (distance) C4'-P energy: -12.850 bonds (distance) P-C4' energy: -11.490 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -10.169 tors. eta vs tors. theta energy: -15.575 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: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -203.315207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.315207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.315207 (E_RNA) where: Base-Base interactions energy: -144.980 where: short stacking energy: -62.378 Base-Backbone interact. energy: -0.112 local terms energy: -58.222675 where: bonds (distance) C4'-P energy: -9.195 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -10.870 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -206.103579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.103579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.103579 (E_RNA) where: Base-Base interactions energy: -141.008 where: short stacking energy: -62.560 Base-Backbone interact. energy: -0.095 local terms energy: -65.000444 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -16.894 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: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -170.541975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.541975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.541975 (E_RNA) where: Base-Base interactions energy: -110.472 where: short stacking energy: -53.979 Base-Backbone interact. energy: 0.451 local terms energy: -60.520807 where: bonds (distance) C4'-P energy: -13.327 bonds (distance) P-C4' energy: -9.009 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -12.396 tors. eta vs tors. theta energy: -11.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -89.899550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.899550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.899550 (E_RNA) where: Base-Base interactions energy: -41.185 where: short stacking energy: -38.671 Base-Backbone interact. energy: 1.197 local terms energy: -49.911931 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -7.436 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: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -71.233340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.233340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.233340 (E_RNA) where: Base-Base interactions energy: -29.833 where: short stacking energy: -27.650 Base-Backbone interact. energy: -0.025 local terms energy: -41.375299 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -10.515 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: 0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -75.550437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.550437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.550437 (E_RNA) where: Base-Base interactions energy: -35.259 where: short stacking energy: -21.773 Base-Backbone interact. energy: 1.632 local terms energy: -41.923154 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: 0.001 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: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -220.511064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.511064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.511064 (E_RNA) where: Base-Base interactions energy: -156.539 where: short stacking energy: -63.606 Base-Backbone interact. energy: -0.114 local terms energy: -63.857106 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -15.564 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -12.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -219.353118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.353118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.353118 (E_RNA) where: Base-Base interactions energy: -146.256 where: short stacking energy: -61.989 Base-Backbone interact. energy: -0.017 local terms energy: -73.079846 where: bonds (distance) C4'-P energy: -16.129 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -14.652 flat angles P-C4'-P energy: -10.891 tors. eta vs tors. theta energy: -18.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -211.552929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.552929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.552929 (E_RNA) where: Base-Base interactions energy: -143.199 where: short stacking energy: -61.309 Base-Backbone interact. energy: -0.377 local terms energy: -67.976931 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -11.929 tors. eta vs tors. theta energy: -16.215 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -209.385728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.385728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.385728 (E_RNA) where: Base-Base interactions energy: -146.079 where: short stacking energy: -64.631 Base-Backbone interact. energy: -0.819 local terms energy: -62.488013 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -15.230 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: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -205.468154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.468154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.468154 (E_RNA) where: Base-Base interactions energy: -142.131 where: short stacking energy: -61.642 Base-Backbone interact. energy: -0.003 local terms energy: -63.334182 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -14.056 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -15.074 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: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -207.628874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.628874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.628874 (E_RNA) where: Base-Base interactions energy: -142.365 where: short stacking energy: -66.844 Base-Backbone interact. energy: -0.006 local terms energy: -65.257925 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -7.263 tors. eta vs tors. theta energy: -20.161 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: 7, replica: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -161.401431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.401431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.401431 (E_RNA) where: Base-Base interactions energy: -106.051 where: short stacking energy: -45.306 Base-Backbone interact. energy: -0.463 local terms energy: -54.887589 where: bonds (distance) C4'-P energy: -11.899 bonds (distance) P-C4' energy: -10.546 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -11.296 tors. eta vs tors. theta energy: -8.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -78.310792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.310792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.310792 (E_RNA) where: Base-Base interactions energy: -34.638 where: short stacking energy: -31.371 Base-Backbone interact. energy: -0.466 local terms energy: -43.206943 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -5.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -87.797152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.797152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.797152 (E_RNA) where: Base-Base interactions energy: -42.125 where: short stacking energy: -41.765 Base-Backbone interact. energy: -0.049 local terms energy: -45.623454 where: bonds (distance) C4'-P energy: -11.936 bonds (distance) P-C4' energy: -9.848 flat angles C4'-P-C4' energy: -10.535 flat angles P-C4'-P energy: -9.079 tors. eta vs tors. theta energy: -4.226 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: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -87.074123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.074123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.074123 (E_RNA) where: Base-Base interactions energy: -30.392 where: short stacking energy: -25.823 Base-Backbone interact. energy: 1.984 local terms energy: -58.666404 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -13.373 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -12.221 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -220.513203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.513203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.513203 (E_RNA) where: Base-Base interactions energy: -152.080 where: short stacking energy: -67.383 Base-Backbone interact. energy: -0.002 local terms energy: -68.431763 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -20.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -220.240216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.240216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.240216 (E_RNA) where: Base-Base interactions energy: -154.622 where: short stacking energy: -69.986 Base-Backbone interact. energy: -0.001 local terms energy: -65.617508 where: bonds (distance) C4'-P energy: -8.759 bonds (distance) P-C4' energy: -9.996 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -21.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -212.657308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.657308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.657308 (E_RNA) where: Base-Base interactions energy: -145.753 where: short stacking energy: -61.948 Base-Backbone interact. energy: -0.074 local terms energy: -66.830589 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -15.641 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -18.518 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: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -207.660339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.660339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.660339 (E_RNA) where: Base-Base interactions energy: -143.744 where: short stacking energy: -55.626 Base-Backbone interact. energy: 0.089 local terms energy: -64.005269 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -9.331 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -12.871 tors. eta vs tors. theta energy: -16.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -214.952665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.952665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.952665 (E_RNA) where: Base-Base interactions energy: -144.240 where: short stacking energy: -60.912 Base-Backbone interact. energy: 0.123 local terms energy: -70.835611 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -8.828 tors. eta vs tors. theta energy: -17.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -207.663962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.663962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.663962 (E_RNA) where: Base-Base interactions energy: -147.752 where: short stacking energy: -60.041 Base-Backbone interact. energy: -0.003 local terms energy: -59.908836 where: bonds (distance) C4'-P energy: -10.146 bonds (distance) P-C4' energy: -11.005 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -16.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -168.757043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.757043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.757043 (E_RNA) where: Base-Base interactions energy: -106.495 where: short stacking energy: -53.299 Base-Backbone interact. energy: -0.158 local terms energy: -62.104409 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -12.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -87.625349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.625349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.625349 (E_RNA) where: Base-Base interactions energy: -38.986 where: short stacking energy: -38.986 Base-Backbone interact. energy: -0.539 local terms energy: -48.100157 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -10.156 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -7.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -76.047230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.047230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.047230 (E_RNA) where: Base-Base interactions energy: -29.282 where: short stacking energy: -30.082 Base-Backbone interact. energy: -0.106 local terms energy: -46.658561 where: bonds (distance) C4'-P energy: -10.300 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -10.206 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -3.184 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: 290 Temperature: 1.350000 Total energy: -85.597549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.597549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.597549 (E_RNA) where: Base-Base interactions energy: -36.921 where: short stacking energy: -14.660 Base-Backbone interact. energy: -0.089 local terms energy: -48.587058 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -222.545252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.545252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.545252 (E_RNA) where: Base-Base interactions energy: -148.420 where: short stacking energy: -67.959 Base-Backbone interact. energy: -0.077 local terms energy: -74.047775 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -15.281 flat angles P-C4'-P energy: -9.917 tors. eta vs tors. theta energy: -20.592 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: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -217.109500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.109500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.109500 (E_RNA) where: Base-Base interactions energy: -146.590 where: short stacking energy: -63.951 Base-Backbone interact. energy: -0.356 local terms energy: -70.163020 where: bonds (distance) C4'-P energy: -8.617 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -13.606 tors. eta vs tors. theta energy: -17.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -217.954678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.954678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.954678 (E_RNA) where: Base-Base interactions energy: -155.900 where: short stacking energy: -57.811 Base-Backbone interact. energy: -0.135 local terms energy: -61.919477 where: bonds (distance) C4'-P energy: -7.270 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -18.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -212.991704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.991704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.991704 (E_RNA) where: Base-Base interactions energy: -145.801 where: short stacking energy: -64.729 Base-Backbone interact. energy: -0.169 local terms energy: -67.021407 where: bonds (distance) C4'-P energy: -13.506 bonds (distance) P-C4' energy: -6.976 flat angles C4'-P-C4' energy: -16.380 flat angles P-C4'-P energy: -11.685 tors. eta vs tors. theta energy: -18.474 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: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -205.654368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.654368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.654368 (E_RNA) where: Base-Base interactions energy: -140.296 where: short stacking energy: -59.792 Base-Backbone interact. energy: 0.040 local terms energy: -65.398228 where: bonds (distance) C4'-P energy: -11.066 bonds (distance) P-C4' energy: -12.605 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -12.276 tors. eta vs tors. theta energy: -16.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -200.315974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.315974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.315974 (E_RNA) where: Base-Base interactions energy: -134.872 where: short stacking energy: -57.754 Base-Backbone interact. energy: -0.681 local terms energy: -64.763169 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -12.829 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -17.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -187.774185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.774185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.774185 (E_RNA) where: Base-Base interactions energy: -129.235 where: short stacking energy: -46.649 Base-Backbone interact. energy: 1.359 local terms energy: -59.898398 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -14.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -89.565928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.565928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.565928 (E_RNA) where: Base-Base interactions energy: -42.856 where: short stacking energy: -42.856 Base-Backbone interact. energy: -0.015 local terms energy: -46.695491 where: bonds (distance) C4'-P energy: -9.714 bonds (distance) P-C4' energy: -10.166 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -8.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -105.823559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.823559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.823559 (E_RNA) where: Base-Base interactions energy: -58.946 where: short stacking energy: -28.251 Base-Backbone interact. energy: -0.306 local terms energy: -46.571495 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -9.669 flat angles P-C4'-P energy: -8.342 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -68.019066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.019066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.019066 (E_RNA) where: Base-Base interactions energy: -23.007 where: short stacking energy: -24.407 Base-Backbone interact. energy: -1.247 local terms energy: -43.764693 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: 0.431 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: 2 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -215.693457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.693457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.693457 (E_RNA) where: Base-Base interactions energy: -147.011 where: short stacking energy: -69.726 Base-Backbone interact. energy: -0.019 local terms energy: -68.662731 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -15.314 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -18.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -217.822949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.822949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.822949 (E_RNA) where: Base-Base interactions energy: -143.064 where: short stacking energy: -66.606 Base-Backbone interact. energy: -0.002 local terms energy: -74.757809 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -16.226 flat angles P-C4'-P energy: -11.576 tors. eta vs tors. theta energy: -19.679 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: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -215.952005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.952005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.952005 (E_RNA) where: Base-Base interactions energy: -149.041 where: short stacking energy: -69.760 Base-Backbone interact. energy: -0.015 local terms energy: -66.896623 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -18.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -214.564856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.564856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.564856 (E_RNA) where: Base-Base interactions energy: -145.334 where: short stacking energy: -64.227 Base-Backbone interact. energy: -0.088 local terms energy: -69.143078 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -19.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -207.360542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.360542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.360542 (E_RNA) where: Base-Base interactions energy: -138.093 where: short stacking energy: -63.024 Base-Backbone interact. energy: -0.019 local terms energy: -69.249367 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -14.718 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -9.435 tors. eta vs tors. theta energy: -17.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -200.068817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.068817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.068817 (E_RNA) where: Base-Base interactions energy: -130.585 where: short stacking energy: -58.220 Base-Backbone interact. energy: -0.057 local terms energy: -69.426452 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -16.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -200.443234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.443234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.443234 (E_RNA) where: Base-Base interactions energy: -138.535 where: short stacking energy: -55.137 Base-Backbone interact. energy: -0.534 local terms energy: -61.374977 where: bonds (distance) C4'-P energy: -8.829 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -10.162 tors. eta vs tors. theta energy: -15.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -77.709555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.709555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.709555 (E_RNA) where: Base-Base interactions energy: -33.325 where: short stacking energy: -28.334 Base-Backbone interact. energy: -0.129 local terms energy: -44.255430 where: bonds (distance) C4'-P energy: -11.399 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -11.273 tors. eta vs tors. theta energy: 0.467 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: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -68.389374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.389374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.389374 (E_RNA) where: Base-Base interactions energy: -22.300 where: short stacking energy: -22.300 Base-Backbone interact. energy: -0.253 local terms energy: -45.836201 where: bonds (distance) C4'-P energy: -13.065 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -10.121 flat angles P-C4'-P energy: -7.699 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: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -71.381699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.381699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.381699 (E_RNA) where: Base-Base interactions energy: -25.263 where: short stacking energy: -25.236 Base-Backbone interact. energy: -0.296 local terms energy: -45.823337 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -8.650 tors. eta vs tors. theta energy: 3.131 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: 2 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -220.175988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.175988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.175988 (E_RNA) where: Base-Base interactions energy: -150.132 where: short stacking energy: -66.680 Base-Backbone interact. energy: -0.019 local terms energy: -70.025080 where: bonds (distance) C4'-P energy: -15.811 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -11.656 tors. eta vs tors. theta energy: -15.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -223.605833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.605833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.605833 (E_RNA) where: Base-Base interactions energy: -152.178 where: short stacking energy: -66.234 Base-Backbone interact. energy: -0.107 local terms energy: -71.320718 where: bonds (distance) C4'-P energy: -15.562 bonds (distance) P-C4' energy: -14.465 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -19.753 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: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -221.363233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.363233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.363233 (E_RNA) where: Base-Base interactions energy: -144.503 where: short stacking energy: -62.726 Base-Backbone interact. energy: -0.014 local terms energy: -76.845824 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -21.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -207.175816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.175816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.175816 (E_RNA) where: Base-Base interactions energy: -142.483 where: short stacking energy: -49.217 Base-Backbone interact. energy: -0.029 local terms energy: -64.663251 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -14.681 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: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -205.836558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.836558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.836558 (E_RNA) where: Base-Base interactions energy: -137.334 where: short stacking energy: -67.110 Base-Backbone interact. energy: -0.045 local terms energy: -68.457676 where: bonds (distance) C4'-P energy: -10.777 bonds (distance) P-C4' energy: -11.680 flat angles C4'-P-C4' energy: -16.085 flat angles P-C4'-P energy: -10.743 tors. eta vs tors. theta energy: -19.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -202.071728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.071728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.071728 (E_RNA) where: Base-Base interactions energy: -135.428 where: short stacking energy: -57.661 Base-Backbone interact. energy: -0.009 local terms energy: -66.634839 where: bonds (distance) C4'-P energy: -12.180 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -17.851 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: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -207.408805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.408805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.408805 (E_RNA) where: Base-Base interactions energy: -136.686 where: short stacking energy: -57.073 Base-Backbone interact. energy: -1.261 local terms energy: -69.462016 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -15.252 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -17.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -74.602660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.602660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.602660 (E_RNA) where: Base-Base interactions energy: -29.728 where: short stacking energy: -25.189 Base-Backbone interact. energy: 0.337 local terms energy: -45.211463 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: 0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -89.697778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.697778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.697778 (E_RNA) where: Base-Base interactions energy: -39.418 where: short stacking energy: -33.864 Base-Backbone interact. energy: -0.189 local terms energy: -50.091155 where: bonds (distance) C4'-P energy: -9.601 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -4.957 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: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -75.182310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.182310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.182310 (E_RNA) where: Base-Base interactions energy: -33.341 where: short stacking energy: -15.887 Base-Backbone interact. energy: -0.434 local terms energy: -41.407812 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -11.956 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: 1.032 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: 1, replica: 7 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -223.111745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.111745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.111745 (E_RNA) where: Base-Base interactions energy: -148.238 where: short stacking energy: -70.186 Base-Backbone interact. energy: -0.023 local terms energy: -74.850852 where: bonds (distance) C4'-P energy: -15.090 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -17.740 flat angles P-C4'-P energy: -9.049 tors. eta vs tors. theta energy: -19.880 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: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -215.831752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.831752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.831752 (E_RNA) where: Base-Base interactions energy: -147.703 where: short stacking energy: -63.567 Base-Backbone interact. energy: -0.124 local terms energy: -68.005229 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -16.172 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -16.988 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: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -218.712868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.712868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.712868 (E_RNA) where: Base-Base interactions energy: -147.880 where: short stacking energy: -65.526 Base-Backbone interact. energy: -0.006 local terms energy: -70.826360 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -14.238 flat angles C4'-P-C4' energy: -15.104 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -19.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -210.264022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.264022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.264022 (E_RNA) where: Base-Base interactions energy: -139.263 where: short stacking energy: -57.677 Base-Backbone interact. energy: -0.161 local terms energy: -70.840034 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -17.466 flat angles P-C4'-P energy: -11.351 tors. eta vs tors. theta energy: -16.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -209.788916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.788916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.788916 (E_RNA) where: Base-Base interactions energy: -144.100 where: short stacking energy: -64.553 Base-Backbone interact. energy: -0.019 local terms energy: -65.670097 where: bonds (distance) C4'-P energy: -12.258 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -10.700 tors. eta vs tors. theta energy: -17.877 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: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -204.738765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.738765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.738765 (E_RNA) where: Base-Base interactions energy: -134.540 where: short stacking energy: -55.595 Base-Backbone interact. energy: -0.003 local terms energy: -70.195886 where: bonds (distance) C4'-P energy: -14.539 bonds (distance) P-C4' energy: -13.108 flat angles C4'-P-C4' energy: -13.569 flat angles P-C4'-P energy: -11.954 tors. eta vs tors. theta energy: -17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -199.566544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.566544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.566544 (E_RNA) where: Base-Base interactions energy: -131.326 where: short stacking energy: -55.955 Base-Backbone interact. energy: -0.179 local terms energy: -68.061117 where: bonds (distance) C4'-P energy: -14.615 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -15.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -97.652014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.652014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.652014 (E_RNA) where: Base-Base interactions energy: -48.834 where: short stacking energy: -34.205 Base-Backbone interact. energy: -0.327 local terms energy: -48.491027 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -16.373 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -77.397995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.397995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.397995 (E_RNA) where: Base-Base interactions energy: -35.600 where: short stacking energy: -35.600 Base-Backbone interact. energy: -0.071 local terms energy: -41.727152 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -4.178 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: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -83.248966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.248966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.248966 (E_RNA) where: Base-Base interactions energy: -31.347 where: short stacking energy: -28.806 Base-Backbone interact. energy: -0.327 local terms energy: -51.575642 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -5.617 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: 295 Temperature: 0.900000 Total energy: -224.399696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.399696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.399696 (E_RNA) where: Base-Base interactions energy: -151.811 where: short stacking energy: -69.392 Base-Backbone interact. energy: -0.001 local terms energy: -72.587768 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -11.721 tors. eta vs tors. theta energy: -19.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -219.069695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.069695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.069695 (E_RNA) where: Base-Base interactions energy: -145.820 where: short stacking energy: -64.321 Base-Backbone interact. energy: -2.501 local terms energy: -70.748843 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -14.627 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -19.202 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: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -208.810328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.810328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.810328 (E_RNA) where: Base-Base interactions energy: -144.050 where: short stacking energy: -59.812 Base-Backbone interact. energy: -0.093 local terms energy: -64.667356 where: bonds (distance) C4'-P energy: -12.098 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -14.119 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: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -211.699035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.699035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.699035 (E_RNA) where: Base-Base interactions energy: -145.440 where: short stacking energy: -61.658 Base-Backbone interact. energy: -0.067 local terms energy: -66.192092 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -12.382 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: -17.953 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: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -212.308820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.308820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.308820 (E_RNA) where: Base-Base interactions energy: -145.511 where: short stacking energy: -62.028 Base-Backbone interact. energy: -0.110 local terms energy: -66.687517 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -13.914 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -19.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -205.544640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.544640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.544640 (E_RNA) where: Base-Base interactions energy: -134.085 where: short stacking energy: -59.608 Base-Backbone interact. energy: -0.339 local terms energy: -71.121097 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -12.512 flat angles C4'-P-C4' energy: -15.325 flat angles P-C4'-P energy: -11.391 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: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -197.655770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.655770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.655770 (E_RNA) where: Base-Base interactions energy: -129.614 where: short stacking energy: -57.703 Base-Backbone interact. energy: -0.399 local terms energy: -67.642882 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -16.056 flat angles P-C4'-P energy: -8.288 tors. eta vs tors. theta energy: -15.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -74.454439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.454439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.454439 (E_RNA) where: Base-Base interactions energy: -30.871 where: short stacking energy: -30.871 Base-Backbone interact. energy: -0.056 local terms energy: -43.527683 where: bonds (distance) C4'-P energy: -8.757 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -10.156 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -7.617 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: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -80.154770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.154770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.154770 (E_RNA) where: Base-Base interactions energy: -37.546 where: short stacking energy: -37.546 Base-Backbone interact. energy: -0.114 local terms energy: -42.494631 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -9.759 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -5.437 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: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -86.376975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.376975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.376975 (E_RNA) where: Base-Base interactions energy: -36.058 where: short stacking energy: -36.058 Base-Backbone interact. energy: -0.089 local terms energy: -50.229785 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -7.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -223.004766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.004766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.004766 (E_RNA) where: Base-Base interactions energy: -151.755 where: short stacking energy: -74.000 Base-Backbone interact. energy: -0.007 local terms energy: -71.242942 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -14.651 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -22.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -211.936212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.936212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.936212 (E_RNA) where: Base-Base interactions energy: -145.093 where: short stacking energy: -63.796 Base-Backbone interact. energy: -0.075 local terms energy: -66.767901 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -17.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -215.733711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.733711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.733711 (E_RNA) where: Base-Base interactions energy: -139.482 where: short stacking energy: -63.446 Base-Backbone interact. energy: -0.001 local terms energy: -76.251369 where: bonds (distance) C4'-P energy: -14.955 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -11.555 tors. eta vs tors. theta energy: -20.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -215.995954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.995954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.995954 (E_RNA) where: Base-Base interactions energy: -150.270 where: short stacking energy: -63.131 Base-Backbone interact. energy: -0.011 local terms energy: -65.715061 where: bonds (distance) C4'-P energy: -15.413 bonds (distance) P-C4' energy: -10.534 flat angles C4'-P-C4' energy: -14.292 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -15.132 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: 296 Temperature: 1.100000 Total energy: -196.677564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.677564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.677564 (E_RNA) where: Base-Base interactions energy: -130.657 where: short stacking energy: -52.444 Base-Backbone interact. energy: -0.489 local terms energy: -65.531824 where: bonds (distance) C4'-P energy: -10.685 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -16.381 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: -15.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -174.185481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.185481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.185481 (E_RNA) where: Base-Base interactions energy: -117.097 where: short stacking energy: -49.995 Base-Backbone interact. energy: -0.014 local terms energy: -57.074575 where: bonds (distance) C4'-P energy: -14.068 bonds (distance) P-C4' energy: -7.688 flat angles C4'-P-C4' energy: -12.721 flat angles P-C4'-P energy: -10.967 tors. eta vs tors. theta energy: -11.630 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: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -192.692628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.692628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.692628 (E_RNA) where: Base-Base interactions energy: -132.995 where: short stacking energy: -50.102 Base-Backbone interact. energy: -0.069 local terms energy: -59.628587 where: bonds (distance) C4'-P energy: -8.682 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -13.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -78.752952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.752952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.752952 (E_RNA) where: Base-Base interactions energy: -38.542 where: short stacking energy: -20.015 Base-Backbone interact. energy: -0.429 local terms energy: -39.781177 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: 1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -130.507711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.507711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.507711 (E_RNA) where: Base-Base interactions energy: -75.244 where: short stacking energy: -38.672 Base-Backbone interact. energy: -0.006 local terms energy: -55.257093 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -9.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -76.275841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.275841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.275841 (E_RNA) where: Base-Base interactions energy: -31.960 where: short stacking energy: -29.694 Base-Backbone interact. energy: -0.146 local terms energy: -44.170032 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -11.114 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -2.397 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: 1, replica: 7 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -221.010099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.010099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.010099 (E_RNA) where: Base-Base interactions energy: -149.255 where: short stacking energy: -69.372 Base-Backbone interact. energy: -0.791 local terms energy: -70.964562 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -10.166 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -219.161408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.161408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.161408 (E_RNA) where: Base-Base interactions energy: -145.636 where: short stacking energy: -67.480 Base-Backbone interact. energy: -0.685 local terms energy: -72.840583 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -8.530 tors. eta vs tors. theta energy: -20.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -202.780653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.780653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.780653 (E_RNA) where: Base-Base interactions energy: -143.902 where: short stacking energy: -54.966 Base-Backbone interact. energy: -0.104 local terms energy: -58.774757 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -10.166 flat angles C4'-P-C4' energy: -10.606 flat angles P-C4'-P energy: -10.424 tors. eta vs tors. theta energy: -13.383 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: 5 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -206.289482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.289482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.289482 (E_RNA) where: Base-Base interactions energy: -147.913 where: short stacking energy: -64.158 Base-Backbone interact. energy: -0.001 local terms energy: -58.375196 where: bonds (distance) C4'-P energy: -10.350 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -15.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -204.432545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.432545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.432545 (E_RNA) where: Base-Base interactions energy: -137.151 where: short stacking energy: -59.307 Base-Backbone interact. energy: -0.000 local terms energy: -67.281005 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -10.237 flat angles P-C4'-P energy: -11.276 tors. eta vs tors. theta energy: -17.969 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: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -208.101688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.101688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.101688 (E_RNA) where: Base-Base interactions energy: -139.940 where: short stacking energy: -60.054 Base-Backbone interact. energy: -0.002 local terms energy: -68.159131 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -11.716 flat angles P-C4'-P energy: -12.523 tors. eta vs tors. theta energy: -18.510 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: 7, replica: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -206.806634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.806634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.806634 (E_RNA) where: Base-Base interactions energy: -133.560 where: short stacking energy: -55.778 Base-Backbone interact. energy: -0.460 local terms energy: -72.786558 where: bonds (distance) C4'-P energy: -14.615 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -16.133 flat angles P-C4'-P energy: -9.394 tors. eta vs tors. theta energy: -17.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -165.170613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.170613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.170613 (E_RNA) where: Base-Base interactions energy: -113.912 where: short stacking energy: -50.812 Base-Backbone interact. energy: -0.022 local terms energy: -51.236807 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -7.849 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: 4 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -81.135010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.135010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.135010 (E_RNA) where: Base-Base interactions energy: -38.216 where: short stacking energy: -32.455 Base-Backbone interact. energy: -0.118 local terms energy: -42.801135 where: bonds (distance) C4'-P energy: -11.186 bonds (distance) P-C4' energy: -4.142 flat angles C4'-P-C4' energy: -10.541 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -80.141726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.141726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.141726 (E_RNA) where: Base-Base interactions energy: -39.654 where: short stacking energy: -23.315 Base-Backbone interact. energy: 1.538 local terms energy: -42.026123 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -9.125 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -1.309 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: 298 Temperature: 0.900000 Total energy: -229.687523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.687523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.687523 (E_RNA) where: Base-Base interactions energy: -149.061 where: short stacking energy: -66.935 Base-Backbone interact. energy: -0.591 local terms energy: -80.035503 where: bonds (distance) C4'-P energy: -15.442 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -16.240 flat angles P-C4'-P energy: -12.559 tors. eta vs tors. theta energy: -20.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -220.278252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.278252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.278252 (E_RNA) where: Base-Base interactions energy: -146.555 where: short stacking energy: -62.127 Base-Backbone interact. energy: -0.009 local terms energy: -73.713870 where: bonds (distance) C4'-P energy: -14.483 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -12.205 tors. eta vs tors. theta energy: -18.396 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: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -215.811987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.811987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.811987 (E_RNA) where: Base-Base interactions energy: -146.469 where: short stacking energy: -65.761 Base-Backbone interact. energy: -0.098 local terms energy: -69.245030 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -11.574 tors. eta vs tors. theta energy: -19.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -212.196764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.196764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.196764 (E_RNA) where: Base-Base interactions energy: -147.522 where: short stacking energy: -65.179 Base-Backbone interact. energy: -0.020 local terms energy: -64.655428 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -19.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -205.295360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.295360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.295360 (E_RNA) where: Base-Base interactions energy: -138.956 where: short stacking energy: -57.921 Base-Backbone interact. energy: -0.157 local terms energy: -66.182973 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -14.766 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: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -200.935780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.935780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.935780 (E_RNA) where: Base-Base interactions energy: -136.411 where: short stacking energy: -58.846 Base-Backbone interact. energy: -0.009 local terms energy: -64.515439 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -7.993 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -17.931 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: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -186.485120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.485120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.485120 (E_RNA) where: Base-Base interactions energy: -124.173 where: short stacking energy: -51.585 Base-Backbone interact. energy: -0.063 local terms energy: -62.249248 where: bonds (distance) C4'-P energy: -9.592 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -11.960 tors. eta vs tors. theta energy: -17.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -192.497347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.497347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.497347 (E_RNA) where: Base-Base interactions energy: -131.008 where: short stacking energy: -54.890 Base-Backbone interact. energy: -0.092 local terms energy: -61.397306 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -10.940 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -15.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -75.613083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.613083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.613083 (E_RNA) where: Base-Base interactions energy: -27.134 where: short stacking energy: -22.794 Base-Backbone interact. energy: -0.322 local terms energy: -48.156265 where: bonds (distance) C4'-P energy: -10.652 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -12.898 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -5.098 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: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -72.116473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.116473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.116473 (E_RNA) where: Base-Base interactions energy: -30.959 where: short stacking energy: -27.910 Base-Backbone interact. energy: -0.164 local terms energy: -40.993529 where: bonds (distance) C4'-P energy: -10.147 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -219.430256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.430256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.430256 (E_RNA) where: Base-Base interactions energy: -150.900 where: short stacking energy: -65.357 Base-Backbone interact. energy: -0.002 local terms energy: -68.528185 where: bonds (distance) C4'-P energy: -12.692 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -14.220 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -19.320 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: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -219.652208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.652208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.652208 (E_RNA) where: Base-Base interactions energy: -143.340 where: short stacking energy: -63.017 Base-Backbone interact. energy: -0.909 local terms energy: -75.403232 where: bonds (distance) C4'-P energy: -10.501 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -16.171 flat angles P-C4'-P energy: -12.672 tors. eta vs tors. theta energy: -19.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -208.899073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.899073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.899073 (E_RNA) where: Base-Base interactions energy: -143.158 where: short stacking energy: -57.608 Base-Backbone interact. energy: -0.087 local terms energy: -65.654671 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -12.314 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -15.562 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: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -214.059027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.059027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.059027 (E_RNA) where: Base-Base interactions energy: -140.894 where: short stacking energy: -58.213 Base-Backbone interact. energy: -1.053 local terms energy: -72.112377 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -11.979 tors. eta vs tors. theta energy: -17.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -197.120500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.120500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.120500 (E_RNA) where: Base-Base interactions energy: -138.224 where: short stacking energy: -55.094 Base-Backbone interact. energy: -0.111 local terms energy: -58.785188 where: bonds (distance) C4'-P energy: -11.016 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: -10.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -186.954028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.954028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.954028 (E_RNA) where: Base-Base interactions energy: -128.053 where: short stacking energy: -51.251 Base-Backbone interact. energy: -0.138 local terms energy: -58.762349 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -8.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -203.843859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.843859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.843859 (E_RNA) where: Base-Base interactions energy: -137.594 where: short stacking energy: -62.495 Base-Backbone interact. energy: -0.001 local terms energy: -66.248689 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -7.996 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: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -190.241484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.241484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.241484 (E_RNA) where: Base-Base interactions energy: -127.712 where: short stacking energy: -49.291 Base-Backbone interact. energy: -0.183 local terms energy: -62.346704 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -11.908 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: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -66.490842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.490842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.490842 (E_RNA) where: Base-Base interactions energy: -25.488 where: short stacking energy: -25.488 Base-Backbone interact. energy: 0.607 local terms energy: -41.609660 where: bonds (distance) C4'-P energy: -10.213 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -10.931 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -0.292 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: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -69.050160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.050160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.050160 (E_RNA) where: Base-Base interactions energy: -27.464 where: short stacking energy: -27.464 Base-Backbone interact. energy: -0.035 local terms energy: -41.551504 where: bonds (distance) C4'-P energy: -11.162 bonds (distance) P-C4' energy: -11.006 flat angles C4'-P-C4' energy: -11.199 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -2.336 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: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -222.215615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.215615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.215615 (E_RNA) where: Base-Base interactions energy: -154.833 where: short stacking energy: -66.025 Base-Backbone interact. energy: -0.037 local terms energy: -67.346474 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -19.508 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: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -220.251127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.251127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.251127 (E_RNA) where: Base-Base interactions energy: -146.588 where: short stacking energy: -62.687 Base-Backbone interact. energy: -0.054 local terms energy: -73.608905 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -11.386 tors. eta vs tors. theta energy: -19.735 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: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -213.190350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.190350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.190350 (E_RNA) where: Base-Base interactions energy: -148.014 where: short stacking energy: -68.224 Base-Backbone interact. energy: -0.077 local terms energy: -65.098874 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -11.478 flat angles C4'-P-C4' energy: -10.892 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -19.650 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: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -205.850846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.850846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.850846 (E_RNA) where: Base-Base interactions energy: -141.198 where: short stacking energy: -62.238 Base-Backbone interact. energy: -0.649 local terms energy: -64.003558 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -12.003 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -15.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -200.217730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.217730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.217730 (E_RNA) where: Base-Base interactions energy: -138.687 where: short stacking energy: -58.460 Base-Backbone interact. energy: -0.040 local terms energy: -61.491391 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -12.854 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: 10 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -187.700226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.700226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.700226 (E_RNA) where: Base-Base interactions energy: -123.855 where: short stacking energy: -60.082 Base-Backbone interact. energy: -0.142 local terms energy: -63.703539 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -16.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -189.630796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.630796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.630796 (E_RNA) where: Base-Base interactions energy: -127.774 where: short stacking energy: -51.429 Base-Backbone interact. energy: -0.075 local terms energy: -61.781679 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -14.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -197.823189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.823189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.823189 (E_RNA) where: Base-Base interactions energy: -141.882 where: short stacking energy: -62.005 Base-Backbone interact. energy: -0.403 local terms energy: -55.538654 where: bonds (distance) C4'-P energy: -6.319 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -9.639 tors. eta vs tors. theta energy: -16.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -75.525059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.525059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.525059 (E_RNA) where: Base-Base interactions energy: -36.843 where: short stacking energy: -17.873 Base-Backbone interact. energy: -0.114 local terms energy: -38.567924 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -9.566 flat angles P-C4'-P energy: -1.331 tors. eta vs tors. theta energy: 2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -68.882654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.882654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.882654 (E_RNA) where: Base-Base interactions energy: -27.075 where: short stacking energy: -26.827 Base-Backbone interact. energy: -0.086 local terms energy: -41.721175 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -8.412 tors. eta vs tors. theta energy: -3.377 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: 1, replica: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -222.749337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.749337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.749337 (E_RNA) where: Base-Base interactions energy: -152.136 where: short stacking energy: -64.755 Base-Backbone interact. energy: -0.006 local terms energy: -70.607674 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -18.500 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: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -224.276824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.276824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.276824 (E_RNA) where: Base-Base interactions energy: -150.008 where: short stacking energy: -62.689 Base-Backbone interact. energy: -0.006 local terms energy: -74.262641 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -8.821 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: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -203.309604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.309604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.309604 (E_RNA) where: Base-Base interactions energy: -137.972 where: short stacking energy: -55.275 Base-Backbone interact. energy: -0.120 local terms energy: -65.217613 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -16.352 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -11.583 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: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -204.804714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.804714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.804714 (E_RNA) where: Base-Base interactions energy: -143.221 where: short stacking energy: -62.620 Base-Backbone interact. energy: -0.092 local terms energy: -61.492255 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -10.648 tors. eta vs tors. theta energy: -15.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -212.568748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.568748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.568748 (E_RNA) where: Base-Base interactions energy: -142.753 where: short stacking energy: -65.176 Base-Backbone interact. energy: -0.006 local terms energy: -69.810000 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -15.955 flat angles P-C4'-P energy: -11.553 tors. eta vs tors. theta energy: -18.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -204.004432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.004432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.004432 (E_RNA) where: Base-Base interactions energy: -136.065 where: short stacking energy: -63.075 Base-Backbone interact. energy: -0.017 local terms energy: -67.923170 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -17.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -170.309684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.309684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.309684 (E_RNA) where: Base-Base interactions energy: -121.703 where: short stacking energy: -48.396 Base-Backbone interact. energy: -0.121 local terms energy: -48.486388 where: bonds (distance) C4'-P energy: -9.575 bonds (distance) P-C4' energy: -9.286 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -8.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -195.583064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.583064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.583064 (E_RNA) where: Base-Base interactions energy: -135.518 where: short stacking energy: -58.161 Base-Backbone interact. energy: 0.482 local terms energy: -60.547694 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -13.794 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -85.260904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.260904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.260904 (E_RNA) where: Base-Base interactions energy: -37.333 where: short stacking energy: -34.248 Base-Backbone interact. energy: -0.775 local terms energy: -47.153007 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -70.669746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.669746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.669746 (E_RNA) where: Base-Base interactions energy: -27.409 where: short stacking energy: -27.409 Base-Backbone interact. energy: -0.017 local terms energy: -43.244024 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -222.503628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.503628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.503628 (E_RNA) where: Base-Base interactions energy: -147.198 where: short stacking energy: -66.137 Base-Backbone interact. energy: -0.004 local terms energy: -75.301862 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -15.039 flat angles P-C4'-P energy: -12.394 tors. eta vs tors. theta energy: -21.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -220.187235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.187235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.187235 (E_RNA) where: Base-Base interactions energy: -145.691 where: short stacking energy: -68.933 Base-Backbone interact. energy: -0.000 local terms energy: -74.495488 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -14.157 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -11.579 tors. eta vs tors. theta energy: -19.950 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: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -221.605054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.605054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.605054 (E_RNA) where: Base-Base interactions energy: -152.074 where: short stacking energy: -68.977 Base-Backbone interact. energy: -1.027 local terms energy: -68.503714 where: bonds (distance) C4'-P energy: -11.026 bonds (distance) P-C4' energy: -9.859 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -13.321 tors. eta vs tors. theta energy: -20.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -217.657863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.657863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.657863 (E_RNA) where: Base-Base interactions energy: -149.114 where: short stacking energy: -70.673 Base-Backbone interact. energy: -0.001 local terms energy: -68.542781 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -15.285 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -19.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -205.647969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.647969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.647969 (E_RNA) where: Base-Base interactions energy: -144.299 where: short stacking energy: -56.992 Base-Backbone interact. energy: -0.017 local terms energy: -61.331570 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -11.312 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -202.491888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.491888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.491888 (E_RNA) where: Base-Base interactions energy: -137.432 where: short stacking energy: -52.058 Base-Backbone interact. energy: -0.037 local terms energy: -65.022873 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -14.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -206.644482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.644482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.644482 (E_RNA) where: Base-Base interactions energy: -142.407 where: short stacking energy: -58.965 Base-Backbone interact. energy: -0.185 local terms energy: -64.053051 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -11.498 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -17.770 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: 10 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -198.106608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.106608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.106608 (E_RNA) where: Base-Base interactions energy: -138.045 where: short stacking energy: -60.789 Base-Backbone interact. energy: -0.094 local terms energy: -59.967195 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -10.571 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -17.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -63.875152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.875152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.875152 (E_RNA) where: Base-Base interactions energy: -28.136 where: short stacking energy: -27.498 Base-Backbone interact. energy: 2.263 local terms energy: -38.002151 where: bonds (distance) C4'-P energy: -15.777 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: 3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -78.394618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.394618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.394618 (E_RNA) where: Base-Base interactions energy: -32.062 where: short stacking energy: -32.062 Base-Backbone interact. energy: -0.023 local terms energy: -46.309458 where: bonds (distance) C4'-P energy: -14.573 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -0.756 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: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -229.542874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.542874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.542874 (E_RNA) where: Base-Base interactions energy: -155.205 where: short stacking energy: -68.434 Base-Backbone interact. energy: -0.189 local terms energy: -74.148720 where: bonds (distance) C4'-P energy: -15.061 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -10.770 tors. eta vs tors. theta energy: -19.923 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: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -221.401718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.401718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.401718 (E_RNA) where: Base-Base interactions energy: -150.328 where: short stacking energy: -66.590 Base-Backbone interact. energy: -0.995 local terms energy: -70.078759 where: bonds (distance) C4'-P energy: -16.250 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -6.865 tors. eta vs tors. theta energy: -17.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -212.017820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.017820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.017820 (E_RNA) where: Base-Base interactions energy: -150.102 where: short stacking energy: -60.797 Base-Backbone interact. energy: -0.104 local terms energy: -61.811724 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -14.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -217.946802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.946802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.946802 (E_RNA) where: Base-Base interactions energy: -151.815 where: short stacking energy: -63.323 Base-Backbone interact. energy: -0.099 local terms energy: -66.032633 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -11.554 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -18.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -205.545512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.545512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.545512 (E_RNA) where: Base-Base interactions energy: -140.046 where: short stacking energy: -59.746 Base-Backbone interact. energy: -0.013 local terms energy: -65.486426 where: bonds (distance) C4'-P energy: -14.139 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -17.710 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: 6, replica: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -207.480495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.480495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.480495 (E_RNA) where: Base-Base interactions energy: -139.210 where: short stacking energy: -55.760 Base-Backbone interact. energy: -0.928 local terms energy: -67.342503 where: bonds (distance) C4'-P energy: -14.780 bonds (distance) P-C4' energy: -11.745 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -17.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -189.042216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.042216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.042216 (E_RNA) where: Base-Base interactions energy: -133.717 where: short stacking energy: -59.587 Base-Backbone interact. energy: -0.191 local terms energy: -55.134080 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -193.332943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.332943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.332943 (E_RNA) where: Base-Base interactions energy: -136.755 where: short stacking energy: -54.170 Base-Backbone interact. energy: -0.038 local terms energy: -56.539760 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -7.709 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -13.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -87.977511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.977511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.977511 (E_RNA) where: Base-Base interactions energy: -38.911 where: short stacking energy: -38.911 Base-Backbone interact. energy: 1.052 local terms energy: -50.118434 where: bonds (distance) C4'-P energy: -9.693 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -8.413 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: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -70.947206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.947206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.947206 (E_RNA) where: Base-Base interactions energy: -22.425 where: short stacking energy: -22.425 Base-Backbone interact. energy: -0.014 local terms energy: -48.508420 where: bonds (distance) C4'-P energy: -12.896 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -2.504 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: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -219.682609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.682609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.682609 (E_RNA) where: Base-Base interactions energy: -149.385 where: short stacking energy: -67.888 Base-Backbone interact. energy: -0.057 local terms energy: -70.241044 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -11.604 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -19.983 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: 304 Temperature: 0.950000 Total energy: -217.379621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.379621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.379621 (E_RNA) where: Base-Base interactions energy: -145.310 where: short stacking energy: -62.590 Base-Backbone interact. energy: -0.000 local terms energy: -72.069291 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -20.296 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: 3, replica: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -216.812878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.812878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.812878 (E_RNA) where: Base-Base interactions energy: -150.273 where: short stacking energy: -66.571 Base-Backbone interact. energy: -0.087 local terms energy: -66.453191 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -10.599 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -18.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -210.020670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.020670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.020670 (E_RNA) where: Base-Base interactions energy: -144.645 where: short stacking energy: -65.150 Base-Backbone interact. energy: -0.021 local terms energy: -65.354915 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -10.025 tors. eta vs tors. theta energy: -16.704 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: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -211.554828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.554828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.554828 (E_RNA) where: Base-Base interactions energy: -146.269 where: short stacking energy: -63.423 Base-Backbone interact. energy: -0.279 local terms energy: -65.006693 where: bonds (distance) C4'-P energy: -12.056 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -18.818 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: 6, replica: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -175.392572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.392572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.392572 (E_RNA) where: Base-Base interactions energy: -120.073 where: short stacking energy: -44.221 Base-Backbone interact. energy: -0.131 local terms energy: -55.188667 where: bonds (distance) C4'-P energy: -9.982 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -9.173 tors. eta vs tors. theta energy: -6.899 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: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -189.770898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.770898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.770898 (E_RNA) where: Base-Base interactions energy: -142.933 where: short stacking energy: -49.325 Base-Backbone interact. energy: -0.175 local terms energy: -46.663692 where: bonds (distance) C4'-P energy: -6.562 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -9.841 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -8.557 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: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -192.103525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.103525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.103525 (E_RNA) where: Base-Base interactions energy: -131.186 where: short stacking energy: -54.099 Base-Backbone interact. energy: -0.893 local terms energy: -60.024383 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -13.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -79.286873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.286873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.286873 (E_RNA) where: Base-Base interactions energy: -29.816 where: short stacking energy: -29.816 Base-Backbone interact. energy: 0.917 local terms energy: -50.388009 where: bonds (distance) C4'-P energy: -8.888 bonds (distance) P-C4' energy: -11.173 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -75.644133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.644133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.644133 (E_RNA) where: Base-Base interactions energy: -26.779 where: short stacking energy: -26.779 Base-Backbone interact. energy: -0.094 local terms energy: -48.770772 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -12.829 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -9.304 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -223.852446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.852446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.852446 (E_RNA) where: Base-Base interactions energy: -147.379 where: short stacking energy: -66.387 Base-Backbone interact. energy: -2.167 local terms energy: -74.306105 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -14.003 flat angles C4'-P-C4' energy: -15.610 flat angles P-C4'-P energy: -12.171 tors. eta vs tors. theta energy: -19.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -218.203091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.203091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.203091 (E_RNA) where: Base-Base interactions energy: -144.529 where: short stacking energy: -64.136 Base-Backbone interact. energy: -0.080 local terms energy: -73.593584 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -11.326 tors. eta vs tors. theta energy: -19.540 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: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -218.767500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.767500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.767500 (E_RNA) where: Base-Base interactions energy: -143.531 where: short stacking energy: -67.316 Base-Backbone interact. energy: -0.000 local terms energy: -75.235900 where: bonds (distance) C4'-P energy: -12.916 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -15.039 flat angles P-C4'-P energy: -11.576 tors. eta vs tors. theta energy: -19.030 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: 305 Temperature: 1.050000 Total energy: -207.831029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.831029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.831029 (E_RNA) where: Base-Base interactions energy: -139.575 where: short stacking energy: -61.911 Base-Backbone interact. energy: -0.095 local terms energy: -68.160622 where: bonds (distance) C4'-P energy: -10.193 bonds (distance) P-C4' energy: -13.369 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -19.101 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: 6 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -210.754899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.754899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.754899 (E_RNA) where: Base-Base interactions energy: -141.629 where: short stacking energy: -61.846 Base-Backbone interact. energy: -0.004 local terms energy: -69.121608 where: bonds (distance) C4'-P energy: -15.438 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -15.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -203.085347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.085347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.085347 (E_RNA) where: Base-Base interactions energy: -140.442 where: short stacking energy: -60.269 Base-Backbone interact. energy: -0.339 local terms energy: -62.304362 where: bonds (distance) C4'-P energy: -9.302 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -12.227 flat angles P-C4'-P energy: -7.706 tors. eta vs tors. theta energy: -16.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -200.377890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.377890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.377890 (E_RNA) where: Base-Base interactions energy: -140.024 where: short stacking energy: -62.494 Base-Backbone interact. energy: -0.006 local terms energy: -60.347779 where: bonds (distance) C4'-P energy: -8.408 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -10.845 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -16.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -201.781217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.781217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.781217 (E_RNA) where: Base-Base interactions energy: -137.908 where: short stacking energy: -61.394 Base-Backbone interact. energy: -0.804 local terms energy: -63.069336 where: bonds (distance) C4'-P energy: -15.658 bonds (distance) P-C4' energy: -10.981 flat angles C4'-P-C4' energy: -11.109 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -19.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -73.962286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.962286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.962286 (E_RNA) where: Base-Base interactions energy: -26.620 where: short stacking energy: -24.730 Base-Backbone interact. energy: -0.009 local terms energy: -47.332860 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -12.463 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -8.580 tors. eta vs tors. theta energy: -2.071 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: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -74.181810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.181810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.181810 (E_RNA) where: Base-Base interactions energy: -28.885 where: short stacking energy: -25.062 Base-Backbone interact. energy: -0.158 local terms energy: -45.139136 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -11.860 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -3.566 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: 1, replica: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -224.807712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.807712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.807712 (E_RNA) where: Base-Base interactions energy: -147.095 where: short stacking energy: -68.085 Base-Backbone interact. energy: -0.015 local terms energy: -77.697784 where: bonds (distance) C4'-P energy: -16.638 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -19.691 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: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -222.537704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.537704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.537704 (E_RNA) where: Base-Base interactions energy: -147.724 where: short stacking energy: -63.631 Base-Backbone interact. energy: -2.041 local terms energy: -72.772383 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -14.020 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -12.686 tors. eta vs tors. theta energy: -19.794 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: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -211.401564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.401564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.401564 (E_RNA) where: Base-Base interactions energy: -147.316 where: short stacking energy: -59.134 Base-Backbone interact. energy: -0.068 local terms energy: -64.016990 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -11.270 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -18.019 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: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -209.809392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.809392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.809392 (E_RNA) where: Base-Base interactions energy: -142.815 where: short stacking energy: -63.059 Base-Backbone interact. energy: -0.101 local terms energy: -66.892951 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -13.493 flat angles P-C4'-P energy: -11.210 tors. eta vs tors. theta energy: -13.424 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: 6 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -202.871819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.871819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.871819 (E_RNA) where: Base-Base interactions energy: -139.735 where: short stacking energy: -58.321 Base-Backbone interact. energy: -0.183 local terms energy: -62.953912 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -19.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -199.969943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.969943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.969943 (E_RNA) where: Base-Base interactions energy: -132.313 where: short stacking energy: -56.116 Base-Backbone interact. energy: -0.586 local terms energy: -67.071427 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -11.750 flat angles P-C4'-P energy: -12.597 tors. eta vs tors. theta energy: -14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -199.011967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.011967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.011967 (E_RNA) where: Base-Base interactions energy: -134.551 where: short stacking energy: -62.831 Base-Backbone interact. energy: -0.008 local terms energy: -64.453077 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -15.145 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -16.853 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: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -199.006489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.006489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.006489 (E_RNA) where: Base-Base interactions energy: -136.839 where: short stacking energy: -52.490 Base-Backbone interact. energy: -0.015 local terms energy: -62.152437 where: bonds (distance) C4'-P energy: -11.183 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -12.720 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: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -73.093404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.093404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.093404 (E_RNA) where: Base-Base interactions energy: -26.314 where: short stacking energy: -23.493 Base-Backbone interact. energy: -0.056 local terms energy: -46.723213 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -2.796 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: 10, replica: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -73.095407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.095407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.095407 (E_RNA) where: Base-Base interactions energy: -33.698 where: short stacking energy: -33.340 Base-Backbone interact. energy: -0.337 local terms energy: -39.060363 where: bonds (distance) C4'-P energy: -12.980 bonds (distance) P-C4' energy: -9.195 flat angles C4'-P-C4' energy: -9.747 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -2.529 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: 9 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -227.024416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.024416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.024416 (E_RNA) where: Base-Base interactions energy: -151.614 where: short stacking energy: -70.338 Base-Backbone interact. energy: -0.001 local terms energy: -75.409740 where: bonds (distance) C4'-P energy: -16.150 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -14.589 flat angles P-C4'-P energy: -10.036 tors. eta vs tors. theta energy: -20.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -219.419647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.419647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.419647 (E_RNA) where: Base-Base interactions energy: -148.620 where: short stacking energy: -65.087 Base-Backbone interact. energy: -0.381 local terms energy: -70.419350 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -19.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -211.933367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.933367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.933367 (E_RNA) where: Base-Base interactions energy: -137.143 where: short stacking energy: -58.338 Base-Backbone interact. energy: -0.051 local terms energy: -74.739205 where: bonds (distance) C4'-P energy: -15.997 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -17.106 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: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -208.348325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.348325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.348325 (E_RNA) where: Base-Base interactions energy: -142.277 where: short stacking energy: -60.110 Base-Backbone interact. energy: -0.108 local terms energy: -65.962915 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -11.996 tors. eta vs tors. theta energy: -17.484 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: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -209.921294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.921294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.921294 (E_RNA) where: Base-Base interactions energy: -148.382 where: short stacking energy: -62.384 Base-Backbone interact. energy: -0.000 local terms energy: -61.538986 where: bonds (distance) C4'-P energy: -8.979 bonds (distance) P-C4' energy: -10.282 flat angles C4'-P-C4' energy: -11.356 flat angles P-C4'-P energy: -10.359 tors. eta vs tors. theta energy: -20.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -195.786920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.786920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.786920 (E_RNA) where: Base-Base interactions energy: -131.366 where: short stacking energy: -54.648 Base-Backbone interact. energy: -0.038 local terms energy: -64.383109 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -15.607 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -13.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -200.934456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.934456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.934456 (E_RNA) where: Base-Base interactions energy: -138.688 where: short stacking energy: -59.032 Base-Backbone interact. energy: -0.002 local terms energy: -62.244576 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -14.908 flat angles C4'-P-C4' energy: -9.329 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -19.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -193.197958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.197958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.197958 (E_RNA) where: Base-Base interactions energy: -130.922 where: short stacking energy: -58.351 Base-Backbone interact. energy: -2.123 local terms energy: -60.153181 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -16.098 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: 307 Temperature: 1.300000 Total energy: -87.541775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.541775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.541775 (E_RNA) where: Base-Base interactions energy: -38.249 where: short stacking energy: -34.855 Base-Backbone interact. energy: -0.126 local terms energy: -49.167532 where: bonds (distance) C4'-P energy: -8.930 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -66.527108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.527108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.527108 (E_RNA) where: Base-Base interactions energy: -21.697 where: short stacking energy: -20.243 Base-Backbone interact. energy: -0.187 local terms energy: -44.642661 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -10.246 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -222.592587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.592587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.592587 (E_RNA) where: Base-Base interactions energy: -149.393 where: short stacking energy: -63.344 Base-Backbone interact. energy: 0.366 local terms energy: -73.565717 where: bonds (distance) C4'-P energy: -13.136 bonds (distance) P-C4' energy: -14.471 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -11.440 tors. eta vs tors. theta energy: -18.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -219.496798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.496798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.496798 (E_RNA) where: Base-Base interactions energy: -150.921 where: short stacking energy: -66.720 Base-Backbone interact. energy: -0.074 local terms energy: -68.501457 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -12.497 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -19.883 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: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -221.665781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.665781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.665781 (E_RNA) where: Base-Base interactions energy: -148.427 where: short stacking energy: -68.836 Base-Backbone interact. energy: -0.008 local terms energy: -73.230199 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -12.009 flat angles P-C4'-P energy: -12.958 tors. eta vs tors. theta energy: -19.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -209.621612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.621612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.621612 (E_RNA) where: Base-Base interactions energy: -142.470 where: short stacking energy: -62.157 Base-Backbone interact. energy: -0.074 local terms energy: -67.078262 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -17.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -205.292839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.292839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.292839 (E_RNA) where: Base-Base interactions energy: -143.731 where: short stacking energy: -64.010 Base-Backbone interact. energy: -0.353 local terms energy: -61.208714 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -8.305 tors. eta vs tors. theta energy: -16.376 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: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -196.717199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.717199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.717199 (E_RNA) where: Base-Base interactions energy: -135.108 where: short stacking energy: -60.833 Base-Backbone interact. energy: -0.067 local terms energy: -61.543088 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -14.242 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: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -161.520736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.520736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.520736 (E_RNA) where: Base-Base interactions energy: -104.016 where: short stacking energy: -48.540 Base-Backbone interact. energy: -0.020 local terms energy: -57.484544 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -8.262 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -9.722 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: 8, replica: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -196.712000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.712000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.712000 (E_RNA) where: Base-Base interactions energy: -137.503 where: short stacking energy: -56.495 Base-Backbone interact. energy: -0.003 local terms energy: -59.206298 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -11.409 flat angles C4'-P-C4' energy: -12.179 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -19.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -76.312592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.312592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.312592 (E_RNA) where: Base-Base interactions energy: -22.945 where: short stacking energy: -22.625 Base-Backbone interact. energy: -0.747 local terms energy: -52.620641 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -3.190 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: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -76.534964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.534964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.534964 (E_RNA) where: Base-Base interactions energy: -34.178 where: short stacking energy: -28.305 Base-Backbone interact. energy: -0.038 local terms energy: -42.318517 where: bonds (distance) C4'-P energy: -8.545 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -6.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -217.108523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.108523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.108523 (E_RNA) where: Base-Base interactions energy: -145.162 where: short stacking energy: -68.517 Base-Backbone interact. energy: -0.100 local terms energy: -71.846303 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -14.452 flat angles P-C4'-P energy: -9.888 tors. eta vs tors. theta energy: -17.732 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: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -212.898762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.898762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.898762 (E_RNA) where: Base-Base interactions energy: -139.842 where: short stacking energy: -60.668 Base-Backbone interact. energy: -0.503 local terms energy: -72.554197 where: bonds (distance) C4'-P energy: -14.155 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -215.492418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.492418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.492418 (E_RNA) where: Base-Base interactions energy: -144.742 where: short stacking energy: -64.682 Base-Backbone interact. energy: -0.045 local terms energy: -70.706122 where: bonds (distance) C4'-P energy: -10.620 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -16.112 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -17.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -210.810150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.810150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.810150 (E_RNA) where: Base-Base interactions energy: -138.240 where: short stacking energy: -61.966 Base-Backbone interact. energy: 1.685 local terms energy: -74.255627 where: bonds (distance) C4'-P energy: -15.170 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -17.311 flat angles P-C4'-P energy: -11.055 tors. eta vs tors. theta energy: -19.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -212.558677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.558677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.558677 (E_RNA) where: Base-Base interactions energy: -141.513 where: short stacking energy: -64.300 Base-Backbone interact. energy: -0.133 local terms energy: -70.912576 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -19.254 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: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -189.882105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.882105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.882105 (E_RNA) where: Base-Base interactions energy: -124.067 where: short stacking energy: -49.987 Base-Backbone interact. energy: -0.062 local terms energy: -65.753633 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -15.670 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -201.634092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.634092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.634092 (E_RNA) where: Base-Base interactions energy: -133.089 where: short stacking energy: -57.512 Base-Backbone interact. energy: -0.722 local terms energy: -67.822845 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -10.969 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: 8, replica: 2 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -183.440636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.440636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.440636 (E_RNA) where: Base-Base interactions energy: -121.491 where: short stacking energy: -53.977 Base-Backbone interact. energy: -0.069 local terms energy: -61.880922 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -8.900 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -10.967 tors. eta vs tors. theta energy: -14.113 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: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -83.652688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.652688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.652688 (E_RNA) where: Base-Base interactions energy: -31.198 where: short stacking energy: -28.664 Base-Backbone interact. energy: -0.172 local terms energy: -52.282722 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -149.505420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.505420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.505420 (E_RNA) where: Base-Base interactions energy: -99.553 where: short stacking energy: -49.707 Base-Backbone interact. energy: 0.290 local terms energy: -50.243049 where: bonds (distance) C4'-P energy: -10.119 bonds (distance) P-C4' energy: -11.860 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -7.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -214.709254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.709254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.709254 (E_RNA) where: Base-Base interactions energy: -147.346 where: short stacking energy: -64.617 Base-Backbone interact. energy: -0.164 local terms energy: -67.199298 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -11.442 tors. eta vs tors. theta energy: -15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -218.902176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.902176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.902176 (E_RNA) where: Base-Base interactions energy: -148.398 where: short stacking energy: -67.501 Base-Backbone interact. energy: -0.212 local terms energy: -70.292361 where: bonds (distance) C4'-P energy: -14.282 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -19.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -208.852540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.852540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.852540 (E_RNA) where: Base-Base interactions energy: -144.629 where: short stacking energy: -60.376 Base-Backbone interact. energy: -0.642 local terms energy: -63.582099 where: bonds (distance) C4'-P energy: -9.332 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -15.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -211.118086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.118086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.118086 (E_RNA) where: Base-Base interactions energy: -143.815 where: short stacking energy: -70.188 Base-Backbone interact. energy: -0.072 local terms energy: -67.231703 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -17.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -206.254886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.254886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.254886 (E_RNA) where: Base-Base interactions energy: -142.530 where: short stacking energy: -58.317 Base-Backbone interact. energy: -0.157 local terms energy: -63.567424 where: bonds (distance) C4'-P energy: -15.199 bonds (distance) P-C4' energy: -8.502 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -15.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -213.768275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.768275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.768275 (E_RNA) where: Base-Base interactions energy: -143.093 where: short stacking energy: -64.385 Base-Backbone interact. energy: -0.489 local terms energy: -70.186041 where: bonds (distance) C4'-P energy: -12.675 bonds (distance) P-C4' energy: -14.758 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -21.048 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: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -203.625974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.625974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.625974 (E_RNA) where: Base-Base interactions energy: -140.905 where: short stacking energy: -63.977 Base-Backbone interact. energy: 0.017 local terms energy: -62.737480 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -11.038 flat angles C4'-P-C4' energy: -12.374 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -147.380637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.380637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.380637 (E_RNA) where: Base-Base interactions energy: -103.166 where: short stacking energy: -45.751 Base-Backbone interact. energy: 0.287 local terms energy: -44.501596 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -10.007 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -8.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -168.802748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.802748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.802748 (E_RNA) where: Base-Base interactions energy: -112.886 where: short stacking energy: -49.874 Base-Backbone interact. energy: -0.475 local terms energy: -55.441835 where: bonds (distance) C4'-P energy: -6.369 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -13.987 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -10.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -72.804714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.804714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.804714 (E_RNA) where: Base-Base interactions energy: -23.473 where: short stacking energy: -23.473 Base-Backbone interact. energy: -0.342 local terms energy: -48.989896 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -12.182 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -219.715133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.715133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.715133 (E_RNA) where: Base-Base interactions energy: -149.991 where: short stacking energy: -67.426 Base-Backbone interact. energy: -0.043 local terms energy: -69.680561 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -11.837 tors. eta vs tors. theta energy: -18.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -218.958113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.958113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.958113 (E_RNA) where: Base-Base interactions energy: -149.270 where: short stacking energy: -65.633 Base-Backbone interact. energy: -3.083 local terms energy: -66.605399 where: bonds (distance) C4'-P energy: -12.466 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -6.423 tors. eta vs tors. theta energy: -18.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -211.557216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.557216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.557216 (E_RNA) where: Base-Base interactions energy: -143.830 where: short stacking energy: -59.437 Base-Backbone interact. energy: -0.802 local terms energy: -66.925379 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -17.306 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -14.575 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: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -211.184488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.184488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.184488 (E_RNA) where: Base-Base interactions energy: -143.112 where: short stacking energy: -59.997 Base-Backbone interact. energy: -0.020 local terms energy: -68.052540 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -16.060 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: 5, replica: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -216.169424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.169424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.169424 (E_RNA) where: Base-Base interactions energy: -142.990 where: short stacking energy: -59.109 Base-Backbone interact. energy: -0.006 local terms energy: -73.173607 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -16.276 flat angles P-C4'-P energy: -11.868 tors. eta vs tors. theta energy: -18.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -194.802743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.802743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.802743 (E_RNA) where: Base-Base interactions energy: -138.474 where: short stacking energy: -52.320 Base-Backbone interact. energy: -0.662 local terms energy: -55.666431 where: bonds (distance) C4'-P energy: -8.388 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -12.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -198.844437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.844437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.844437 (E_RNA) where: Base-Base interactions energy: -135.603 where: short stacking energy: -48.430 Base-Backbone interact. energy: 0.055 local terms energy: -63.296521 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -15.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -159.163708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.163708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.163708 (E_RNA) where: Base-Base interactions energy: -101.687 where: short stacking energy: -46.944 Base-Backbone interact. energy: -0.254 local terms energy: -57.223217 where: bonds (distance) C4'-P energy: -9.472 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -7.183 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: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -122.108747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.108747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.108747 (E_RNA) where: Base-Base interactions energy: -81.401 where: short stacking energy: -42.991 Base-Backbone interact. energy: -0.156 local terms energy: -40.551983 where: bonds (distance) C4'-P energy: -8.146 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -2.137 tors. eta vs tors. theta energy: -10.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -70.290020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.290020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.290020 (E_RNA) where: Base-Base interactions energy: -26.698 where: short stacking energy: -25.196 Base-Backbone interact. energy: -0.019 local terms energy: -43.573509 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -223.580192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.580192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.580192 (E_RNA) where: Base-Base interactions energy: -153.552 where: short stacking energy: -71.707 Base-Backbone interact. energy: -0.005 local terms energy: -70.023343 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -19.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -220.287249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.287249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.287249 (E_RNA) where: Base-Base interactions energy: -155.251 where: short stacking energy: -63.280 Base-Backbone interact. energy: 0.086 local terms energy: -65.122209 where: bonds (distance) C4'-P energy: -10.222 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -17.274 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: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -216.041356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.041356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.041356 (E_RNA) where: Base-Base interactions energy: -145.112 where: short stacking energy: -62.782 Base-Backbone interact. energy: 0.482 local terms energy: -71.410984 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -18.934 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: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -209.698441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.698441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.698441 (E_RNA) where: Base-Base interactions energy: -142.640 where: short stacking energy: -65.454 Base-Backbone interact. energy: -0.834 local terms energy: -66.223803 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -18.313 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: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -215.585192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.585192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.585192 (E_RNA) where: Base-Base interactions energy: -142.746 where: short stacking energy: -60.688 Base-Backbone interact. energy: -0.002 local terms energy: -72.837640 where: bonds (distance) C4'-P energy: -11.461 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -16.314 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -19.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -199.076565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.076565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.076565 (E_RNA) where: Base-Base interactions energy: -134.636 where: short stacking energy: -56.059 Base-Backbone interact. energy: -0.098 local terms energy: -64.342918 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -10.215 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -18.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -199.592422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.592422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.592422 (E_RNA) where: Base-Base interactions energy: -140.291 where: short stacking energy: -59.855 Base-Backbone interact. energy: -0.162 local terms energy: -59.139533 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -12.637 tors. eta vs tors. theta energy: -14.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -155.035048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.035048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.035048 (E_RNA) where: Base-Base interactions energy: -104.131 where: short stacking energy: -44.136 Base-Backbone interact. energy: -1.603 local terms energy: -49.301496 where: bonds (distance) C4'-P energy: -8.132 bonds (distance) P-C4' energy: -8.273 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -11.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -75.174007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.174007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.174007 (E_RNA) where: Base-Base interactions energy: -35.542 where: short stacking energy: -25.342 Base-Backbone interact. energy: -0.134 local terms energy: -39.498108 where: bonds (distance) C4'-P energy: -7.848 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -3.767 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: 312 Temperature: 1.350000 Total energy: -76.085831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.085831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.085831 (E_RNA) where: Base-Base interactions energy: -37.227 where: short stacking energy: -25.502 Base-Backbone interact. energy: -0.186 local terms energy: -38.672454 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -2.361 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: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -225.179042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.179042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.179042 (E_RNA) where: Base-Base interactions energy: -150.430 where: short stacking energy: -65.593 Base-Backbone interact. energy: 0.832 local terms energy: -75.581595 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -15.159 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -12.467 tors. eta vs tors. theta energy: -20.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -224.309521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.309521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.309521 (E_RNA) where: Base-Base interactions energy: -150.119 where: short stacking energy: -67.475 Base-Backbone interact. energy: -0.585 local terms energy: -73.605702 where: bonds (distance) C4'-P energy: -12.760 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -14.057 tors. eta vs tors. theta energy: -20.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -209.768466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.768466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.768466 (E_RNA) where: Base-Base interactions energy: -141.086 where: short stacking energy: -62.807 Base-Backbone interact. energy: -0.043 local terms energy: -68.638917 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -12.496 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -212.571309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.571309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.571309 (E_RNA) where: Base-Base interactions energy: -143.615 where: short stacking energy: -59.130 Base-Backbone interact. energy: -0.102 local terms energy: -68.855099 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -15.616 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -9.417 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: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -212.232387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.232387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.232387 (E_RNA) where: Base-Base interactions energy: -138.277 where: short stacking energy: -59.219 Base-Backbone interact. energy: -0.057 local terms energy: -73.899250 where: bonds (distance) C4'-P energy: -16.192 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -10.172 tors. eta vs tors. theta energy: -19.123 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: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -185.950423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.950423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.950423 (E_RNA) where: Base-Base interactions energy: -134.048 where: short stacking energy: -56.985 Base-Backbone interact. energy: -0.102 local terms energy: -51.800019 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -10.803 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -13.045 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: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -201.798751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.798751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.798751 (E_RNA) where: Base-Base interactions energy: -138.285 where: short stacking energy: -57.521 Base-Backbone interact. energy: -0.109 local terms energy: -63.404425 where: bonds (distance) C4'-P energy: -8.776 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -12.056 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -149.748051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.748051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.748051 (E_RNA) where: Base-Base interactions energy: -93.213 where: short stacking energy: -40.911 Base-Backbone interact. energy: -0.304 local terms energy: -56.231081 where: bonds (distance) C4'-P energy: -10.466 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -13.263 tors. eta vs tors. theta energy: -8.898 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: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -74.687282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.687282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.687282 (E_RNA) where: Base-Base interactions energy: -28.171 where: short stacking energy: -27.034 Base-Backbone interact. energy: -0.139 local terms energy: -46.377553 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -6.902 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -90.550256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.550256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.550256 (E_RNA) where: Base-Base interactions energy: -43.300 where: short stacking energy: -33.487 Base-Backbone interact. energy: -0.115 local terms energy: -47.135345 where: bonds (distance) C4'-P energy: -9.120 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -12.425 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -212.930412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.930412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.930412 (E_RNA) where: Base-Base interactions energy: -142.187 where: short stacking energy: -64.430 Base-Backbone interact. energy: -0.034 local terms energy: -70.708896 where: bonds (distance) C4'-P energy: -15.214 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -20.055 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: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -214.980309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.980309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.980309 (E_RNA) where: Base-Base interactions energy: -145.357 where: short stacking energy: -66.276 Base-Backbone interact. energy: -0.003 local terms energy: -69.620364 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -19.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -204.512857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.512857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.512857 (E_RNA) where: Base-Base interactions energy: -138.334 where: short stacking energy: -56.411 Base-Backbone interact. energy: -0.044 local terms energy: -66.135417 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -207.023996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.023996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.023996 (E_RNA) where: Base-Base interactions energy: -139.908 where: short stacking energy: -56.743 Base-Backbone interact. energy: -0.050 local terms energy: -67.066578 where: bonds (distance) C4'-P energy: -11.335 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -12.582 tors. eta vs tors. theta energy: -15.488 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: 314 Temperature: 1.100000 Total energy: -209.471390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.471390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.471390 (E_RNA) where: Base-Base interactions energy: -143.198 where: short stacking energy: -57.775 Base-Backbone interact. energy: -0.084 local terms energy: -66.189573 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -11.646 flat angles C4'-P-C4' energy: -16.619 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -16.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -197.642882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.642882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.642882 (E_RNA) where: Base-Base interactions energy: -132.962 where: short stacking energy: -51.359 Base-Backbone interact. energy: -0.631 local terms energy: -64.049787 where: bonds (distance) C4'-P energy: -15.360 bonds (distance) P-C4' energy: -13.764 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -11.365 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: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -208.494485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.494485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.494485 (E_RNA) where: Base-Base interactions energy: -136.368 where: short stacking energy: -64.136 Base-Backbone interact. energy: -1.160 local terms energy: -70.966077 where: bonds (distance) C4'-P energy: -13.754 bonds (distance) P-C4' energy: -12.019 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -11.538 tors. eta vs tors. theta energy: -20.586 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: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -145.690245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.690245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.690245 (E_RNA) where: Base-Base interactions energy: -86.536 where: short stacking energy: -43.224 Base-Backbone interact. energy: -0.067 local terms energy: -59.086830 where: bonds (distance) C4'-P energy: -13.692 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -81.428094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.428094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.428094 (E_RNA) where: Base-Base interactions energy: -35.666 where: short stacking energy: -22.632 Base-Backbone interact. energy: 2.280 local terms energy: -48.042586 where: bonds (distance) C4'-P energy: -10.611 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -79.812673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.812673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.812673 (E_RNA) where: Base-Base interactions energy: -34.375 where: short stacking energy: -34.375 Base-Backbone interact. energy: 1.956 local terms energy: -47.393712 where: bonds (distance) C4'-P energy: -14.146 bonds (distance) P-C4' energy: -13.854 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -208.674594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.674594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.674594 (E_RNA) where: Base-Base interactions energy: -143.248 where: short stacking energy: -58.393 Base-Backbone interact. energy: -0.733 local terms energy: -64.693909 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -15.098 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: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -219.492178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.492178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.492178 (E_RNA) where: Base-Base interactions energy: -142.601 where: short stacking energy: -59.177 Base-Backbone interact. energy: -0.727 local terms energy: -76.164600 where: bonds (distance) C4'-P energy: -15.332 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -15.352 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -18.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -208.833930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.833930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.833930 (E_RNA) where: Base-Base interactions energy: -137.562 where: short stacking energy: -60.135 Base-Backbone interact. energy: -0.020 local terms energy: -71.251443 where: bonds (distance) C4'-P energy: -16.076 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -13.568 flat angles P-C4'-P energy: -11.538 tors. eta vs tors. theta energy: -16.806 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: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -208.863823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.863823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.863823 (E_RNA) where: Base-Base interactions energy: -142.419 where: short stacking energy: -62.915 Base-Backbone interact. energy: -0.001 local terms energy: -66.443267 where: bonds (distance) C4'-P energy: -12.631 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -19.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -199.672547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.672547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.672547 (E_RNA) where: Base-Base interactions energy: -141.435 where: short stacking energy: -61.522 Base-Backbone interact. energy: -0.080 local terms energy: -58.157552 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -8.229 tors. eta vs tors. theta energy: -16.183 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: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -202.135211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.135211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.135211 (E_RNA) where: Base-Base interactions energy: -137.043 where: short stacking energy: -60.404 Base-Backbone interact. energy: -0.002 local terms energy: -65.090608 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -9.590 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -8.002 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: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -196.737831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.737831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.737831 (E_RNA) where: Base-Base interactions energy: -132.774 where: short stacking energy: -55.127 Base-Backbone interact. energy: -0.003 local terms energy: -63.961680 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -14.386 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -14.698 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: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -167.880597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.880597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.880597 (E_RNA) where: Base-Base interactions energy: -109.877 where: short stacking energy: -48.349 Base-Backbone interact. energy: -0.063 local terms energy: -57.940652 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -77.077144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.077144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.077144 (E_RNA) where: Base-Base interactions energy: -32.629 where: short stacking energy: -32.629 Base-Backbone interact. energy: -0.066 local terms energy: -44.382339 where: bonds (distance) C4'-P energy: -8.230 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -12.486 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -94.607890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.607890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.607890 (E_RNA) where: Base-Base interactions energy: -48.524 where: short stacking energy: -32.023 Base-Backbone interact. energy: -1.153 local terms energy: -44.930687 where: bonds (distance) C4'-P energy: -4.514 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -5.135 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: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -220.734029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.734029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.734029 (E_RNA) where: Base-Base interactions energy: -153.007 where: short stacking energy: -65.650 Base-Backbone interact. energy: -0.275 local terms energy: -67.452850 where: bonds (distance) C4'-P energy: -15.918 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -7.690 tors. eta vs tors. theta energy: -17.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -220.266226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.266226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.266226 (E_RNA) where: Base-Base interactions energy: -153.015 where: short stacking energy: -63.257 Base-Backbone interact. energy: -0.391 local terms energy: -66.860631 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -11.604 flat angles C4'-P-C4' energy: -16.036 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -20.104 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: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -215.904484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.904484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.904484 (E_RNA) where: Base-Base interactions energy: -147.732 where: short stacking energy: -62.237 Base-Backbone interact. energy: -0.006 local terms energy: -68.166959 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -19.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -215.620218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.620218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.620218 (E_RNA) where: Base-Base interactions energy: -145.844 where: short stacking energy: -61.236 Base-Backbone interact. energy: -0.001 local terms energy: -69.775338 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -12.978 tors. eta vs tors. theta energy: -18.951 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: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -203.614130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.614130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.614130 (E_RNA) where: Base-Base interactions energy: -137.578 where: short stacking energy: -58.771 Base-Backbone interact. energy: -0.007 local terms energy: -66.029711 where: bonds (distance) C4'-P energy: -7.713 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -13.086 tors. eta vs tors. theta energy: -16.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -198.550257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.550257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.550257 (E_RNA) where: Base-Base interactions energy: -136.142 where: short stacking energy: -55.288 Base-Backbone interact. energy: -1.126 local terms energy: -61.281909 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -14.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -202.276233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.276233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.276233 (E_RNA) where: Base-Base interactions energy: -136.297 where: short stacking energy: -64.092 Base-Backbone interact. energy: -0.037 local terms energy: -65.942288 where: bonds (distance) C4'-P energy: -9.798 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -12.792 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -20.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -175.387967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.387967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.387967 (E_RNA) where: Base-Base interactions energy: -112.660 where: short stacking energy: -51.372 Base-Backbone interact. energy: -0.040 local terms energy: -62.687294 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -11.249 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -14.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -82.253675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.253675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.253675 (E_RNA) where: Base-Base interactions energy: -40.325 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.165 local terms energy: -41.763613 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -69.621464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.621464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.621464 (E_RNA) where: Base-Base interactions energy: -34.220 where: short stacking energy: -32.341 Base-Backbone interact. energy: -0.663 local terms energy: -34.738658 where: bonds (distance) C4'-P energy: -8.949 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -4.921 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: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -218.120434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.120434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.120434 (E_RNA) where: Base-Base interactions energy: -150.883 where: short stacking energy: -67.545 Base-Backbone interact. energy: -1.631 local terms energy: -65.606629 where: bonds (distance) C4'-P energy: -7.743 bonds (distance) P-C4' energy: -16.826 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -11.401 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: 2, replica: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -221.093564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.093564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.093564 (E_RNA) where: Base-Base interactions energy: -147.259 where: short stacking energy: -67.541 Base-Backbone interact. energy: -0.039 local terms energy: -73.796316 where: bonds (distance) C4'-P energy: -15.065 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -15.815 flat angles P-C4'-P energy: -10.289 tors. eta vs tors. theta energy: -18.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -213.418984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.418984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.418984 (E_RNA) where: Base-Base interactions energy: -147.045 where: short stacking energy: -65.541 Base-Backbone interact. energy: -0.006 local terms energy: -66.368530 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -8.602 flat angles C4'-P-C4' energy: -16.199 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -19.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -202.967431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.967431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.967431 (E_RNA) where: Base-Base interactions energy: -138.098 where: short stacking energy: -57.378 Base-Backbone interact. energy: -0.218 local terms energy: -64.651761 where: bonds (distance) C4'-P energy: -11.753 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -14.191 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: 317 Temperature: 1.100000 Total energy: -213.481578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.481578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.481578 (E_RNA) where: Base-Base interactions energy: -142.990 where: short stacking energy: -59.924 Base-Backbone interact. energy: -0.001 local terms energy: -70.490655 where: bonds (distance) C4'-P energy: -14.325 bonds (distance) P-C4' energy: -10.506 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -13.428 tors. eta vs tors. theta energy: -17.322 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: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -206.613482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.613482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.613482 (E_RNA) where: Base-Base interactions energy: -143.085 where: short stacking energy: -61.119 Base-Backbone interact. energy: -0.046 local terms energy: -63.482345 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -17.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -202.362596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.362596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.362596 (E_RNA) where: Base-Base interactions energy: -140.236 where: short stacking energy: -58.578 Base-Backbone interact. energy: -0.211 local terms energy: -61.915450 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -11.158 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -17.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -193.446198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.446198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.446198 (E_RNA) where: Base-Base interactions energy: -134.648 where: short stacking energy: -56.399 Base-Backbone interact. energy: -0.256 local terms energy: -58.542614 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -11.757 flat angles P-C4'-P energy: -11.930 tors. eta vs tors. theta energy: -15.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -77.588737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.588737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.588737 (E_RNA) where: Base-Base interactions energy: -30.853 where: short stacking energy: -19.007 Base-Backbone interact. energy: -0.052 local terms energy: -46.683589 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -68.357308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.357308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.357308 (E_RNA) where: Base-Base interactions energy: -28.139 where: short stacking energy: -17.837 Base-Backbone interact. energy: -0.238 local terms energy: -39.979722 where: bonds (distance) C4'-P energy: -9.945 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -6.563 tors. eta vs tors. theta energy: -1.902 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: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -222.200769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.200769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.200769 (E_RNA) where: Base-Base interactions energy: -148.620 where: short stacking energy: -71.079 Base-Backbone interact. energy: -0.015 local terms energy: -73.565295 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -16.962 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -18.666 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: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -214.451587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.451587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.451587 (E_RNA) where: Base-Base interactions energy: -148.770 where: short stacking energy: -68.202 Base-Backbone interact. energy: -0.045 local terms energy: -65.636405 where: bonds (distance) C4'-P energy: -16.159 bonds (distance) P-C4' energy: -11.801 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -18.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -207.874431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.874431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.874431 (E_RNA) where: Base-Base interactions energy: -148.008 where: short stacking energy: -59.722 Base-Backbone interact. energy: -0.732 local terms energy: -59.133988 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -11.320 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -218.665920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.665920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.665920 (E_RNA) where: Base-Base interactions energy: -147.682 where: short stacking energy: -69.917 Base-Backbone interact. energy: -0.000 local terms energy: -70.983674 where: bonds (distance) C4'-P energy: -11.393 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -16.292 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -19.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -208.093047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.093047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.093047 (E_RNA) where: Base-Base interactions energy: -146.059 where: short stacking energy: -62.027 Base-Backbone interact. energy: -0.161 local terms energy: -61.872450 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -17.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -205.818625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.818625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.818625 (E_RNA) where: Base-Base interactions energy: -140.426 where: short stacking energy: -55.757 Base-Backbone interact. energy: -0.029 local terms energy: -65.363507 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -18.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -207.095774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.095774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.095774 (E_RNA) where: Base-Base interactions energy: -140.236 where: short stacking energy: -58.963 Base-Backbone interact. energy: -0.008 local terms energy: -66.851427 where: bonds (distance) C4'-P energy: -11.229 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -14.455 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -16.123 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: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -184.293342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.293342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.293342 (E_RNA) where: Base-Base interactions energy: -120.759 where: short stacking energy: -53.013 Base-Backbone interact. energy: -0.678 local terms energy: -62.856233 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -9.611 flat angles C4'-P-C4' energy: -16.814 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -15.563 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: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -75.315483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.315483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.315483 (E_RNA) where: Base-Base interactions energy: -30.191 where: short stacking energy: -25.836 Base-Backbone interact. energy: -0.058 local terms energy: -45.066856 where: bonds (distance) C4'-P energy: -10.125 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -8.937 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -72.160773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.160773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.160773 (E_RNA) where: Base-Base interactions energy: -29.499 where: short stacking energy: -23.647 Base-Backbone interact. energy: -0.037 local terms energy: -42.624379 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -1.557 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: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -224.647524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.647524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.647524 (E_RNA) where: Base-Base interactions energy: -146.959 where: short stacking energy: -65.331 Base-Backbone interact. energy: -0.003 local terms energy: -77.685087 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -17.257 flat angles P-C4'-P energy: -11.647 tors. eta vs tors. theta energy: -18.199 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: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -223.938460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.938460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.938460 (E_RNA) where: Base-Base interactions energy: -152.502 where: short stacking energy: -68.295 Base-Backbone interact. energy: -0.943 local terms energy: -70.494022 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -18.947 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: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -205.512208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.512208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.512208 (E_RNA) where: Base-Base interactions energy: -140.755 where: short stacking energy: -61.848 Base-Backbone interact. energy: -0.012 local terms energy: -64.744518 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -11.621 flat angles C4'-P-C4' energy: -17.438 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -16.228 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: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -212.100690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.100690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.100690 (E_RNA) where: Base-Base interactions energy: -142.656 where: short stacking energy: -60.771 Base-Backbone interact. energy: -0.001 local terms energy: -69.443901 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -16.471 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -9.078 tors. eta vs tors. theta energy: -18.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -211.157363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.157363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.157363 (E_RNA) where: Base-Base interactions energy: -142.016 where: short stacking energy: -58.452 Base-Backbone interact. energy: -0.009 local terms energy: -69.132411 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -10.439 tors. eta vs tors. theta energy: -14.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -204.992965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.992965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.992965 (E_RNA) where: Base-Base interactions energy: -142.537 where: short stacking energy: -60.902 Base-Backbone interact. energy: -0.119 local terms energy: -62.337074 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -10.075 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -16.554 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: 7, replica: 7 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -194.467976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.467976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.467976 (E_RNA) where: Base-Base interactions energy: -141.711 where: short stacking energy: -56.806 Base-Backbone interact. energy: -0.312 local terms energy: -52.444628 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -10.104 flat angles P-C4'-P energy: -11.987 tors. eta vs tors. theta energy: -14.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -201.747366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.747366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.747366 (E_RNA) where: Base-Base interactions energy: -134.744 where: short stacking energy: -58.163 Base-Backbone interact. energy: -0.217 local terms energy: -66.785873 where: bonds (distance) C4'-P energy: -11.216 bonds (distance) P-C4' energy: -14.975 flat angles C4'-P-C4' energy: -11.769 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -19.782 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: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -89.713288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.713288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.713288 (E_RNA) where: Base-Base interactions energy: -51.218 where: short stacking energy: -24.787 Base-Backbone interact. energy: -0.372 local terms energy: -38.123889 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: 4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -75.096951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.096951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.096951 (E_RNA) where: Base-Base interactions energy: -31.627 where: short stacking energy: -27.076 Base-Backbone interact. energy: -0.129 local terms energy: -43.341202 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -9.816 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: 0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -223.673799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.673799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.673799 (E_RNA) where: Base-Base interactions energy: -152.813 where: short stacking energy: -65.992 Base-Backbone interact. energy: -0.314 local terms energy: -70.546907 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -16.500 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -18.231 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: 320 Temperature: 0.950000 Total energy: -218.634146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.634146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.634146 (E_RNA) where: Base-Base interactions energy: -152.606 where: short stacking energy: -66.662 Base-Backbone interact. energy: -0.253 local terms energy: -65.776017 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -19.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -218.645316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.645316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.645316 (E_RNA) where: Base-Base interactions energy: -150.494 where: short stacking energy: -65.987 Base-Backbone interact. energy: -0.036 local terms energy: -68.115385 where: bonds (distance) C4'-P energy: -10.690 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -11.922 tors. eta vs tors. theta energy: -17.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -212.183985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.183985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.183985 (E_RNA) where: Base-Base interactions energy: -148.178 where: short stacking energy: -68.101 Base-Backbone interact. energy: 0.427 local terms energy: -64.433365 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -14.252 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -18.035 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: 320 Temperature: 1.100000 Total energy: -208.486076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.486076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.486076 (E_RNA) where: Base-Base interactions energy: -137.182 where: short stacking energy: -58.809 Base-Backbone interact. energy: -0.423 local terms energy: -70.881262 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -9.429 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: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -203.542964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.542964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.542964 (E_RNA) where: Base-Base interactions energy: -139.609 where: short stacking energy: -62.636 Base-Backbone interact. energy: -0.042 local terms energy: -63.891373 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -15.974 flat angles P-C4'-P energy: -11.411 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: 7, replica: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -196.760987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.760987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.760987 (E_RNA) where: Base-Base interactions energy: -140.909 where: short stacking energy: -57.190 Base-Backbone interact. energy: -0.175 local terms energy: -55.677275 where: bonds (distance) C4'-P energy: -10.342 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -11.898 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -13.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -192.925551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.925551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.925551 (E_RNA) where: Base-Base interactions energy: -130.006 where: short stacking energy: -56.829 Base-Backbone interact. energy: -0.098 local terms energy: -62.821402 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.020 flat angles P-C4'-P energy: -7.954 tors. eta vs tors. theta energy: -16.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -82.168408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.168408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.168408 (E_RNA) where: Base-Base interactions energy: -27.564 where: short stacking energy: -27.564 Base-Backbone interact. energy: -0.004 local terms energy: -54.600217 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -11.167 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -79.676900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.676900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.676900 (E_RNA) where: Base-Base interactions energy: -43.296 where: short stacking energy: -22.704 Base-Backbone interact. energy: 1.645 local terms energy: -38.026226 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: 2.990 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: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -218.666384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.666384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.666384 (E_RNA) where: Base-Base interactions energy: -148.903 where: short stacking energy: -66.886 Base-Backbone interact. energy: -1.051 local terms energy: -68.711941 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -12.990 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -19.650 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: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -219.101723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.101723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.101723 (E_RNA) where: Base-Base interactions energy: -149.092 where: short stacking energy: -60.092 Base-Backbone interact. energy: -0.476 local terms energy: -69.533348 where: bonds (distance) C4'-P energy: -11.465 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -11.560 flat angles P-C4'-P energy: -12.980 tors. eta vs tors. theta energy: -19.148 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: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -215.562488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.562488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.562488 (E_RNA) where: Base-Base interactions energy: -151.027 where: short stacking energy: -62.157 Base-Backbone interact. energy: -0.103 local terms energy: -64.432810 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -13.198 flat angles C4'-P-C4' energy: -14.644 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -16.286 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: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -211.694114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.694114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.694114 (E_RNA) where: Base-Base interactions energy: -139.793 where: short stacking energy: -56.546 Base-Backbone interact. energy: -0.009 local terms energy: -71.892222 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -13.894 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -16.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -214.560893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.560893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.560893 (E_RNA) where: Base-Base interactions energy: -144.315 where: short stacking energy: -64.017 Base-Backbone interact. energy: -0.001 local terms energy: -70.244477 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -16.349 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -19.633 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: 10 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -199.288269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.288269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.288269 (E_RNA) where: Base-Base interactions energy: -138.226 where: short stacking energy: -55.114 Base-Backbone interact. energy: 0.502 local terms energy: -61.563971 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -15.081 flat angles P-C4'-P energy: -10.355 tors. eta vs tors. theta energy: -10.089 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: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -200.894067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.894067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.894067 (E_RNA) where: Base-Base interactions energy: -134.028 where: short stacking energy: -55.415 Base-Backbone interact. energy: -1.469 local terms energy: -65.396606 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -9.865 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -19.915 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: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -201.015505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.015505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.015505 (E_RNA) where: Base-Base interactions energy: -138.665 where: short stacking energy: -60.484 Base-Backbone interact. energy: -0.590 local terms energy: -61.761160 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -15.112 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: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -86.395019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.395019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.395019 (E_RNA) where: Base-Base interactions energy: -44.706 where: short stacking energy: -18.314 Base-Backbone interact. energy: -0.157 local terms energy: -41.531559 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -9.280 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: 1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -66.759277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.759277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.759277 (E_RNA) where: Base-Base interactions energy: -23.076 where: short stacking energy: -23.076 Base-Backbone interact. energy: -0.047 local terms energy: -43.636002 where: bonds (distance) C4'-P energy: -9.562 bonds (distance) P-C4' energy: -11.769 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -8.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -223.803441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.803441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.803441 (E_RNA) where: Base-Base interactions energy: -150.747 where: short stacking energy: -67.525 Base-Backbone interact. energy: -0.010 local terms energy: -73.046911 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -11.411 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: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -214.881014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.881014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.881014 (E_RNA) where: Base-Base interactions energy: -147.718 where: short stacking energy: -66.641 Base-Backbone interact. energy: -0.053 local terms energy: -67.109965 where: bonds (distance) C4'-P energy: -13.149 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -17.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -217.513176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.513176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.513176 (E_RNA) where: Base-Base interactions energy: -145.288 where: short stacking energy: -62.589 Base-Backbone interact. energy: 1.462 local terms energy: -73.687118 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -16.521 flat angles P-C4'-P energy: -13.423 tors. eta vs tors. theta energy: -17.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -208.233631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.233631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.233631 (E_RNA) where: Base-Base interactions energy: -138.465 where: short stacking energy: -66.467 Base-Backbone interact. energy: -0.000 local terms energy: -69.767652 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -10.640 tors. eta vs tors. theta energy: -18.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -203.374729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.374729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.374729 (E_RNA) where: Base-Base interactions energy: -140.156 where: short stacking energy: -56.057 Base-Backbone interact. energy: -0.022 local terms energy: -63.196847 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -13.604 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: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -201.349990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.349990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.349990 (E_RNA) where: Base-Base interactions energy: -139.140 where: short stacking energy: -59.100 Base-Backbone interact. energy: -0.290 local terms energy: -61.919922 where: bonds (distance) C4'-P energy: -8.097 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -11.697 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -17.931 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: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -205.126132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.126132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.126132 (E_RNA) where: Base-Base interactions energy: -144.593 where: short stacking energy: -71.071 Base-Backbone interact. energy: -0.021 local terms energy: -60.512395 where: bonds (distance) C4'-P energy: -3.082 bonds (distance) P-C4' energy: -15.558 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -21.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -194.694749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.694749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.694749 (E_RNA) where: Base-Base interactions energy: -135.578 where: short stacking energy: -54.899 Base-Backbone interact. energy: -0.470 local terms energy: -58.646917 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -16.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -81.722209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.722209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.722209 (E_RNA) where: Base-Base interactions energy: -30.051 where: short stacking energy: -30.051 Base-Backbone interact. energy: -0.018 local terms energy: -51.653182 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -12.831 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -8.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -90.735041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.735041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.735041 (E_RNA) where: Base-Base interactions energy: -38.099 where: short stacking energy: -38.099 Base-Backbone interact. energy: -0.137 local terms energy: -52.499130 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -12.464 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -10.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -228.176008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.176008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.176008 (E_RNA) where: Base-Base interactions energy: -157.581 where: short stacking energy: -74.301 Base-Backbone interact. energy: 0.258 local terms energy: -70.852481 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -15.539 flat angles P-C4'-P energy: -11.901 tors. eta vs tors. theta energy: -20.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -218.558514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.558514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.558514 (E_RNA) where: Base-Base interactions energy: -148.009 where: short stacking energy: -68.593 Base-Backbone interact. energy: -0.102 local terms energy: -70.447892 where: bonds (distance) C4'-P energy: -15.661 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -18.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -207.587103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.587103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.587103 (E_RNA) where: Base-Base interactions energy: -143.256 where: short stacking energy: -61.774 Base-Backbone interact. energy: -0.723 local terms energy: -63.607975 where: bonds (distance) C4'-P energy: -8.756 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -12.754 tors. eta vs tors. theta energy: -14.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -209.443564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.443564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.443564 (E_RNA) where: Base-Base interactions energy: -143.370 where: short stacking energy: -64.413 Base-Backbone interact. energy: -0.041 local terms energy: -66.033262 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -16.108 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -19.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -211.349918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.349918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.349918 (E_RNA) where: Base-Base interactions energy: -143.403 where: short stacking energy: -61.655 Base-Backbone interact. energy: -0.002 local terms energy: -67.944877 where: bonds (distance) C4'-P energy: -15.642 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -16.406 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: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -207.258038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.258038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.258038 (E_RNA) where: Base-Base interactions energy: -138.041 where: short stacking energy: -60.916 Base-Backbone interact. energy: -0.026 local terms energy: -69.190775 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -10.383 tors. eta vs tors. theta energy: -16.707 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: 323 Temperature: 1.200000 Total energy: -193.359146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.359146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.359146 (E_RNA) where: Base-Base interactions energy: -136.619 where: short stacking energy: -59.394 Base-Backbone interact. energy: -0.102 local terms energy: -56.637915 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -12.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -201.971574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.971574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.971574 (E_RNA) where: Base-Base interactions energy: -134.552 where: short stacking energy: -60.630 Base-Backbone interact. energy: -0.060 local terms energy: -67.359885 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -10.948 tors. eta vs tors. theta energy: -17.522 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: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -77.396854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.396854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.396854 (E_RNA) where: Base-Base interactions energy: -39.195 where: short stacking energy: -29.113 Base-Backbone interact. energy: -0.164 local terms energy: -38.038032 where: bonds (distance) C4'-P energy: -8.470 bonds (distance) P-C4' energy: -12.016 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -0.430 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: 323 Temperature: 1.350000 Total energy: -75.105817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.105817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.105817 (E_RNA) where: Base-Base interactions energy: -32.039 where: short stacking energy: -32.039 Base-Backbone interact. energy: -0.696 local terms energy: -42.370825 where: bonds (distance) C4'-P energy: -5.991 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -0.699 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: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -217.941247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.941247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.941247 (E_RNA) where: Base-Base interactions energy: -148.959 where: short stacking energy: -66.574 Base-Backbone interact. energy: -0.002 local terms energy: -68.980262 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -8.181 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: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -218.121783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.121783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.121783 (E_RNA) where: Base-Base interactions energy: -155.642 where: short stacking energy: -71.516 Base-Backbone interact. energy: 0.474 local terms energy: -62.953760 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -11.053 flat angles C4'-P-C4' energy: -15.375 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -18.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -213.319347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.319347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.319347 (E_RNA) where: Base-Base interactions energy: -142.680 where: short stacking energy: -63.867 Base-Backbone interact. energy: -0.163 local terms energy: -70.476129 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -11.996 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -19.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -204.739157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.739157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.739157 (E_RNA) where: Base-Base interactions energy: -142.021 where: short stacking energy: -62.640 Base-Backbone interact. energy: -0.146 local terms energy: -62.572479 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -11.888 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -18.481 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: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -200.545075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.545075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.545075 (E_RNA) where: Base-Base interactions energy: -143.362 where: short stacking energy: -58.210 Base-Backbone interact. energy: -0.365 local terms energy: -56.817726 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -11.543 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -9.547 tors. eta vs tors. theta energy: -13.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -208.597958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.597958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.597958 (E_RNA) where: Base-Base interactions energy: -142.340 where: short stacking energy: -62.276 Base-Backbone interact. energy: -0.474 local terms energy: -65.783702 where: bonds (distance) C4'-P energy: -6.832 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -17.451 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: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -192.116316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.116316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.116316 (E_RNA) where: Base-Base interactions energy: -138.638 where: short stacking energy: -49.493 Base-Backbone interact. energy: -0.033 local terms energy: -53.446031 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -7.040 tors. eta vs tors. theta energy: -14.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -200.697399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.697399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.697399 (E_RNA) where: Base-Base interactions energy: -133.957 where: short stacking energy: -55.774 Base-Backbone interact. energy: -1.455 local terms energy: -65.285670 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -9.024 tors. eta vs tors. theta energy: -17.807 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: 324 Temperature: 1.300000 Total energy: -79.589600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.589600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.589600 (E_RNA) where: Base-Base interactions energy: -27.083 where: short stacking energy: -27.183 Base-Backbone interact. energy: 0.092 local terms energy: -52.599181 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -15.755 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -3.668 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: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -77.779123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.779123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.779123 (E_RNA) where: Base-Base interactions energy: -33.104 where: short stacking energy: -29.452 Base-Backbone interact. energy: -0.206 local terms energy: -44.468953 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -222.452260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.452260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.452260 (E_RNA) where: Base-Base interactions energy: -150.666 where: short stacking energy: -69.578 Base-Backbone interact. energy: -0.163 local terms energy: -71.623005 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -15.114 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -18.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -213.567184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.567184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.567184 (E_RNA) where: Base-Base interactions energy: -143.863 where: short stacking energy: -59.919 Base-Backbone interact. energy: -0.180 local terms energy: -69.524569 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -13.346 tors. eta vs tors. theta energy: -15.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -211.502090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.502090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.502090 (E_RNA) where: Base-Base interactions energy: -149.598 where: short stacking energy: -55.594 Base-Backbone interact. energy: -0.704 local terms energy: -61.199668 where: bonds (distance) C4'-P energy: -8.882 bonds (distance) P-C4' energy: -12.124 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -19.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -203.107359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.107359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.107359 (E_RNA) where: Base-Base interactions energy: -132.928 where: short stacking energy: -62.374 Base-Backbone interact. energy: -0.034 local terms energy: -70.145580 where: bonds (distance) C4'-P energy: -16.561 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -16.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -205.399272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.399272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.399272 (E_RNA) where: Base-Base interactions energy: -135.700 where: short stacking energy: -63.487 Base-Backbone interact. energy: -0.002 local terms energy: -69.698190 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -16.068 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -10.471 tors. eta vs tors. theta energy: -17.766 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: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -185.028341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.028341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.028341 (E_RNA) where: Base-Base interactions energy: -121.641 where: short stacking energy: -49.070 Base-Backbone interact. energy: -0.247 local terms energy: -63.140008 where: bonds (distance) C4'-P energy: -16.026 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -12.533 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: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -197.185737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.185737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.185737 (E_RNA) where: Base-Base interactions energy: -135.624 where: short stacking energy: -57.624 Base-Backbone interact. energy: -0.063 local terms energy: -61.497929 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -17.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -205.134247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.134247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.134247 (E_RNA) where: Base-Base interactions energy: -148.707 where: short stacking energy: -62.660 Base-Backbone interact. energy: -0.033 local terms energy: -56.394812 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -11.084 flat angles P-C4'-P energy: -7.309 tors. eta vs tors. theta energy: -18.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -75.408363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.408363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.408363 (E_RNA) where: Base-Base interactions energy: -25.260 where: short stacking energy: -25.260 Base-Backbone interact. energy: -0.028 local terms energy: -50.120364 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -5.683 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: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -74.852108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.852108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.852108 (E_RNA) where: Base-Base interactions energy: -28.147 where: short stacking energy: -28.147 Base-Backbone interact. energy: -0.240 local terms energy: -46.465235 where: bonds (distance) C4'-P energy: -8.791 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -213.171998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.171998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.171998 (E_RNA) where: Base-Base interactions energy: -145.866 where: short stacking energy: -54.958 Base-Backbone interact. energy: -0.130 local terms energy: -67.175898 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -14.018 flat angles P-C4'-P energy: -12.230 tors. eta vs tors. theta energy: -12.666 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: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -217.911535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.911535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.911535 (E_RNA) where: Base-Base interactions energy: -146.723 where: short stacking energy: -64.542 Base-Backbone interact. energy: -0.089 local terms energy: -71.099392 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -11.482 tors. eta vs tors. theta energy: -17.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -220.976910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.976910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.976910 (E_RNA) where: Base-Base interactions energy: -144.555 where: short stacking energy: -66.548 Base-Backbone interact. energy: -0.001 local terms energy: -76.420094 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -16.217 flat angles P-C4'-P energy: -10.780 tors. eta vs tors. theta energy: -20.663 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: 4, replica: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -214.884838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.884838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.884838 (E_RNA) where: Base-Base interactions energy: -147.573 where: short stacking energy: -70.108 Base-Backbone interact. energy: -0.204 local terms energy: -67.108534 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -12.029 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -20.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -206.147496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.147496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.147496 (E_RNA) where: Base-Base interactions energy: -138.101 where: short stacking energy: -56.743 Base-Backbone interact. energy: -0.739 local terms energy: -67.307221 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -15.941 flat angles P-C4'-P energy: -8.725 tors. eta vs tors. theta energy: -15.230 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: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -172.193121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.193121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.193121 (E_RNA) where: Base-Base interactions energy: -114.385 where: short stacking energy: -50.755 Base-Backbone interact. energy: -0.321 local terms energy: -57.486312 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -7.421 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -10.927 tors. eta vs tors. theta energy: -12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -201.691608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.691608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.691608 (E_RNA) where: Base-Base interactions energy: -144.400 where: short stacking energy: -61.941 Base-Backbone interact. energy: -0.013 local terms energy: -57.278313 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -18.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -198.398102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.398102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.398102 (E_RNA) where: Base-Base interactions energy: -140.637 where: short stacking energy: -61.855 Base-Backbone interact. energy: -0.050 local terms energy: -57.710932 where: bonds (distance) C4'-P energy: -9.447 bonds (distance) P-C4' energy: -7.923 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -17.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -76.406834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.406834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.406834 (E_RNA) where: Base-Base interactions energy: -33.053 where: short stacking energy: -33.053 Base-Backbone interact. energy: -0.124 local terms energy: -43.229622 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -71.831404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.831404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.831404 (E_RNA) where: Base-Base interactions energy: -30.317 where: short stacking energy: -26.153 Base-Backbone interact. energy: -0.289 local terms energy: -41.225795 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -10.730 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -1.881 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: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -229.680232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.680232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.680232 (E_RNA) where: Base-Base interactions energy: -154.806 where: short stacking energy: -73.331 Base-Backbone interact. energy: -0.575 local terms energy: -74.298937 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -12.482 tors. eta vs tors. theta energy: -20.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -219.183015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.183015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.183015 (E_RNA) where: Base-Base interactions energy: -149.173 where: short stacking energy: -68.927 Base-Backbone interact. energy: -0.166 local terms energy: -69.844418 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -14.180 flat angles P-C4'-P energy: -9.661 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: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -211.783683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.783683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.783683 (E_RNA) where: Base-Base interactions energy: -145.804 where: short stacking energy: -62.383 Base-Backbone interact. energy: -0.580 local terms energy: -65.400179 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -14.773 flat angles C4'-P-C4' energy: -15.889 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -19.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -213.358987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.358987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.358987 (E_RNA) where: Base-Base interactions energy: -144.563 where: short stacking energy: -65.949 Base-Backbone interact. energy: -0.038 local terms energy: -68.758633 where: bonds (distance) C4'-P energy: -12.303 bonds (distance) P-C4' energy: -13.854 flat angles C4'-P-C4' energy: -14.488 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -17.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -206.961532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.961532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.961532 (E_RNA) where: Base-Base interactions energy: -137.207 where: short stacking energy: -57.316 Base-Backbone interact. energy: -0.156 local terms energy: -69.598923 where: bonds (distance) C4'-P energy: -15.847 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -19.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -198.098824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.098824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.098824 (E_RNA) where: Base-Base interactions energy: -135.440 where: short stacking energy: -58.694 Base-Backbone interact. energy: -0.199 local terms energy: -62.459944 where: bonds (distance) C4'-P energy: -11.684 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -15.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -177.381899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.381899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.381899 (E_RNA) where: Base-Base interactions energy: -121.346 where: short stacking energy: -47.172 Base-Backbone interact. energy: 0.144 local terms energy: -56.179439 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -12.950 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -6.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -189.445180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.445180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.445180 (E_RNA) where: Base-Base interactions energy: -132.339 where: short stacking energy: -52.680 Base-Backbone interact. energy: -0.321 local terms energy: -56.785403 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -15.689 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -9.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -82.404946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.404946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.404946 (E_RNA) where: Base-Base interactions energy: -24.912 where: short stacking energy: -24.912 Base-Backbone interact. energy: -0.052 local terms energy: -57.441687 where: bonds (distance) C4'-P energy: -11.949 bonds (distance) P-C4' energy: -14.758 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -79.708199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.708199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.708199 (E_RNA) where: Base-Base interactions energy: -31.659 where: short stacking energy: -31.340 Base-Backbone interact. energy: -0.123 local terms energy: -47.925666 where: bonds (distance) C4'-P energy: -10.553 bonds (distance) P-C4' energy: -14.733 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -7.004 tors. eta vs tors. theta energy: -3.377 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: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -222.873758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.873758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.873758 (E_RNA) where: Base-Base interactions energy: -154.329 where: short stacking energy: -69.950 Base-Backbone interact. energy: -0.088 local terms energy: -68.456279 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -13.159 flat angles P-C4'-P energy: -12.671 tors. eta vs tors. theta energy: -19.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -221.355304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.355304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.355304 (E_RNA) where: Base-Base interactions energy: -151.503 where: short stacking energy: -68.706 Base-Backbone interact. energy: -0.978 local terms energy: -68.874031 where: bonds (distance) C4'-P energy: -15.289 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -16.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -212.869277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.869277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.869277 (E_RNA) where: Base-Base interactions energy: -143.970 where: short stacking energy: -60.573 Base-Backbone interact. energy: -0.013 local terms energy: -68.885546 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -13.894 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -17.243 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: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -205.576635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.576635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.576635 (E_RNA) where: Base-Base interactions energy: -141.969 where: short stacking energy: -60.196 Base-Backbone interact. energy: -0.001 local terms energy: -63.606913 where: bonds (distance) C4'-P energy: -9.357 bonds (distance) P-C4' energy: -14.006 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -18.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -200.189264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.189264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.189264 (E_RNA) where: Base-Base interactions energy: -137.277 where: short stacking energy: -64.034 Base-Backbone interact. energy: -0.687 local terms energy: -62.225044 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -15.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -202.886965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.886965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.886965 (E_RNA) where: Base-Base interactions energy: -133.985 where: short stacking energy: -60.149 Base-Backbone interact. energy: -0.001 local terms energy: -68.900644 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -16.388 flat angles P-C4'-P energy: -7.270 tors. eta vs tors. theta energy: -16.578 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: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -197.354122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.354122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.354122 (E_RNA) where: Base-Base interactions energy: -131.711 where: short stacking energy: -52.513 Base-Backbone interact. energy: -0.103 local terms energy: -65.540697 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -15.139 flat angles P-C4'-P energy: -10.834 tors. eta vs tors. theta energy: -12.971 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: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -195.689738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.689738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.689738 (E_RNA) where: Base-Base interactions energy: -127.463 where: short stacking energy: -50.340 Base-Backbone interact. energy: -0.100 local terms energy: -68.125811 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -17.972 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: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -81.603257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.603257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.603257 (E_RNA) where: Base-Base interactions energy: -32.708 where: short stacking energy: -32.708 Base-Backbone interact. energy: -0.080 local terms energy: -48.814761 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -10.425 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -7.003 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: 328 Temperature: 1.350000 Total energy: -72.396037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.396037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.396037 (E_RNA) where: Base-Base interactions energy: -30.749 where: short stacking energy: -28.401 Base-Backbone interact. energy: -0.044 local terms energy: -41.602391 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -8.771 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -220.582810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.582810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.582810 (E_RNA) where: Base-Base interactions energy: -151.465 where: short stacking energy: -68.562 Base-Backbone interact. energy: -0.449 local terms energy: -68.668033 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -20.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -218.064198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.064198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.064198 (E_RNA) where: Base-Base interactions energy: -145.771 where: short stacking energy: -66.305 Base-Backbone interact. energy: -0.005 local terms energy: -72.288067 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -14.692 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -20.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -217.138818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.138818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.138818 (E_RNA) where: Base-Base interactions energy: -146.677 where: short stacking energy: -63.280 Base-Backbone interact. energy: -0.787 local terms energy: -69.674695 where: bonds (distance) C4'-P energy: -15.493 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -18.138 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: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -209.039071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.039071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.039071 (E_RNA) where: Base-Base interactions energy: -149.278 where: short stacking energy: -59.892 Base-Backbone interact. energy: -0.639 local terms energy: -59.122478 where: bonds (distance) C4'-P energy: -9.180 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -9.704 tors. eta vs tors. theta energy: -13.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -206.212352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.212352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.212352 (E_RNA) where: Base-Base interactions energy: -142.131 where: short stacking energy: -63.347 Base-Backbone interact. energy: -0.006 local terms energy: -64.075009 where: bonds (distance) C4'-P energy: -11.923 bonds (distance) P-C4' energy: -15.191 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -19.781 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: 6, replica: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -206.139447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.139447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.139447 (E_RNA) where: Base-Base interactions energy: -145.874 where: short stacking energy: -53.032 Base-Backbone interact. energy: -0.134 local terms energy: -60.130605 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -12.264 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -13.445 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: 7 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -194.037664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.037664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.037664 (E_RNA) where: Base-Base interactions energy: -136.218 where: short stacking energy: -53.172 Base-Backbone interact. energy: -0.125 local terms energy: -57.694175 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -14.911 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: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -166.774838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.774838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.774838 (E_RNA) where: Base-Base interactions energy: -122.674 where: short stacking energy: -43.457 Base-Backbone interact. energy: 2.079 local terms energy: -46.179456 where: bonds (distance) C4'-P energy: -11.692 bonds (distance) P-C4' energy: -11.432 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -5.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -75.194646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.194646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.194646 (E_RNA) where: Base-Base interactions energy: -34.379 where: short stacking energy: -25.836 Base-Backbone interact. energy: -0.282 local terms energy: -40.534083 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: 0.139 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: 329 Temperature: 1.350000 Total energy: -70.204503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.204503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.204503 (E_RNA) where: Base-Base interactions energy: -26.110 where: short stacking energy: -26.044 Base-Backbone interact. energy: -0.259 local terms energy: -43.835222 where: bonds (distance) C4'-P energy: -12.444 bonds (distance) P-C4' energy: -9.683 flat angles C4'-P-C4' energy: -11.888 flat angles P-C4'-P energy: -9.198 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -224.979369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.979369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.979369 (E_RNA) where: Base-Base interactions energy: -151.348 where: short stacking energy: -70.712 Base-Backbone interact. energy: -1.054 local terms energy: -72.577359 where: bonds (distance) C4'-P energy: -15.903 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -15.138 flat angles P-C4'-P energy: -11.007 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: 2, replica: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -221.494954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.494954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.494954 (E_RNA) where: Base-Base interactions energy: -150.191 where: short stacking energy: -72.931 Base-Backbone interact. energy: -0.010 local terms energy: -71.294357 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -16.030 flat angles P-C4'-P energy: -12.212 tors. eta vs tors. theta energy: -19.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -220.554127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.554127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.554127 (E_RNA) where: Base-Base interactions energy: -151.972 where: short stacking energy: -72.724 Base-Backbone interact. energy: -0.204 local terms energy: -68.377960 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -10.909 tors. eta vs tors. theta energy: -18.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -211.824720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.824720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.824720 (E_RNA) where: Base-Base interactions energy: -146.946 where: short stacking energy: -68.467 Base-Backbone interact. energy: -0.017 local terms energy: -64.861554 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -19.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -207.265743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.265743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.265743 (E_RNA) where: Base-Base interactions energy: -144.027 where: short stacking energy: -64.967 Base-Backbone interact. energy: -0.014 local terms energy: -63.225168 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -9.488 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -12.053 tors. eta vs tors. theta energy: -17.285 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: 330 Temperature: 1.150000 Total energy: -198.448518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.448518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.448518 (E_RNA) where: Base-Base interactions energy: -137.113 where: short stacking energy: -56.673 Base-Backbone interact. energy: -0.580 local terms energy: -60.755674 where: bonds (distance) C4'-P energy: -10.259 bonds (distance) P-C4' energy: -11.599 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -15.651 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: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -191.015889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.015889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.015889 (E_RNA) where: Base-Base interactions energy: -140.254 where: short stacking energy: -55.621 Base-Backbone interact. energy: -0.081 local terms energy: -50.680511 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.502 flat angles C4'-P-C4' energy: -11.381 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -12.027 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: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -198.370560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.370560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.370560 (E_RNA) where: Base-Base interactions energy: -134.957 where: short stacking energy: -64.895 Base-Backbone interact. energy: -0.008 local terms energy: -63.406496 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -12.223 flat angles C4'-P-C4' energy: -10.334 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -17.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -78.588832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.588832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.588832 (E_RNA) where: Base-Base interactions energy: -30.917 where: short stacking energy: -26.259 Base-Backbone interact. energy: -0.197 local terms energy: -47.474410 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -12.162 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -69.840682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.840682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.840682 (E_RNA) where: Base-Base interactions energy: -24.274 where: short stacking energy: -24.274 Base-Backbone interact. energy: -0.018 local terms energy: -45.549227 where: bonds (distance) C4'-P energy: -10.891 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -220.467483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.467483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.467483 (E_RNA) where: Base-Base interactions energy: -149.313 where: short stacking energy: -66.617 Base-Backbone interact. energy: -0.001 local terms energy: -71.153445 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -13.818 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -16.788 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: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -221.273397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.273397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.273397 (E_RNA) where: Base-Base interactions energy: -148.690 where: short stacking energy: -65.063 Base-Backbone interact. energy: -0.643 local terms energy: -71.941132 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -10.423 tors. eta vs tors. theta energy: -19.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -219.626281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.626281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.626281 (E_RNA) where: Base-Base interactions energy: -155.899 where: short stacking energy: -67.483 Base-Backbone interact. energy: -0.007 local terms energy: -63.720298 where: bonds (distance) C4'-P energy: -8.826 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -20.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -210.244388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.244388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.244388 (E_RNA) where: Base-Base interactions energy: -142.861 where: short stacking energy: -61.710 Base-Backbone interact. energy: -0.000 local terms energy: -67.383137 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -10.981 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: -18.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -202.618054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.618054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.618054 (E_RNA) where: Base-Base interactions energy: -134.272 where: short stacking energy: -62.195 Base-Backbone interact. energy: -0.002 local terms energy: -68.344411 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -17.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -201.209281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.209281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.209281 (E_RNA) where: Base-Base interactions energy: -138.041 where: short stacking energy: -57.578 Base-Backbone interact. energy: -0.073 local terms energy: -63.094805 where: bonds (distance) C4'-P energy: -9.327 bonds (distance) P-C4' energy: -15.174 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -12.561 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: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -196.784948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.784948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.784948 (E_RNA) where: Base-Base interactions energy: -128.905 where: short stacking energy: -59.376 Base-Backbone interact. energy: -0.000 local terms energy: -67.879390 where: bonds (distance) C4'-P energy: -12.730 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -14.352 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -17.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -200.768848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.768848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.768848 (E_RNA) where: Base-Base interactions energy: -134.563 where: short stacking energy: -61.898 Base-Backbone interact. energy: -0.000 local terms energy: -66.205446 where: bonds (distance) C4'-P energy: -11.684 bonds (distance) P-C4' energy: -13.858 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -19.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -82.560077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.560077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.560077 (E_RNA) where: Base-Base interactions energy: -34.063 where: short stacking energy: -34.063 Base-Backbone interact. energy: 0.606 local terms energy: -49.102956 where: bonds (distance) C4'-P energy: -9.857 bonds (distance) P-C4' energy: -11.688 flat angles C4'-P-C4' energy: -15.903 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -6.514 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: 331 Temperature: 1.350000 Total energy: -69.296571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.296571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.296571 (E_RNA) where: Base-Base interactions energy: -30.383 where: short stacking energy: -27.373 Base-Backbone interact. energy: -0.027 local terms energy: -38.885833 where: bonds (distance) C4'-P energy: -9.490 bonds (distance) P-C4' energy: -9.328 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -1.921 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: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -219.003073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.003073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.003073 (E_RNA) where: Base-Base interactions energy: -148.904 where: short stacking energy: -69.997 Base-Backbone interact. energy: -0.001 local terms energy: -70.098141 where: bonds (distance) C4'-P energy: -7.014 bonds (distance) P-C4' energy: -16.053 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -12.201 tors. eta vs tors. theta energy: -20.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -218.280073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.280073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.280073 (E_RNA) where: Base-Base interactions energy: -148.990 where: short stacking energy: -64.523 Base-Backbone interact. energy: -0.053 local terms energy: -69.236584 where: bonds (distance) C4'-P energy: -9.241 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -16.092 flat angles P-C4'-P energy: -11.275 tors. eta vs tors. theta energy: -18.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -213.710911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.710911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.710911 (E_RNA) where: Base-Base interactions energy: -142.374 where: short stacking energy: -53.552 Base-Backbone interact. energy: -0.395 local terms energy: -70.941169 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -16.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -210.030736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.030736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.030736 (E_RNA) where: Base-Base interactions energy: -138.621 where: short stacking energy: -67.538 Base-Backbone interact. energy: -0.011 local terms energy: -71.398932 where: bonds (distance) C4'-P energy: -13.723 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -13.449 flat angles P-C4'-P energy: -9.699 tors. eta vs tors. theta energy: -18.583 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: 332 Temperature: 1.100000 Total energy: -205.564564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.564564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.564564 (E_RNA) where: Base-Base interactions energy: -149.530 where: short stacking energy: -66.206 Base-Backbone interact. energy: -0.003 local terms energy: -56.031113 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -20.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -204.627537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.627537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.627537 (E_RNA) where: Base-Base interactions energy: -140.260 where: short stacking energy: -60.198 Base-Backbone interact. energy: -0.060 local terms energy: -64.308123 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -17.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -207.700826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.700826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.700826 (E_RNA) where: Base-Base interactions energy: -137.877 where: short stacking energy: -62.146 Base-Backbone interact. energy: -0.001 local terms energy: -69.822200 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -20.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -190.647489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.647489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.647489 (E_RNA) where: Base-Base interactions energy: -131.383 where: short stacking energy: -53.464 Base-Backbone interact. energy: -0.094 local terms energy: -59.169814 where: bonds (distance) C4'-P energy: -9.047 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -16.962 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: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -77.116555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.116555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.116555 (E_RNA) where: Base-Base interactions energy: -35.653 where: short stacking energy: -27.047 Base-Backbone interact. energy: -0.508 local terms energy: -40.955512 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -11.685 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -4.277 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: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -69.286729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.286729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.286729 (E_RNA) where: Base-Base interactions energy: -20.637 where: short stacking energy: -20.637 Base-Backbone interact. energy: -0.023 local terms energy: -48.627182 where: bonds (distance) C4'-P energy: -16.220 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: -0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -220.444873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.444873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.444873 (E_RNA) where: Base-Base interactions energy: -150.229 where: short stacking energy: -65.196 Base-Backbone interact. energy: -0.027 local terms energy: -70.188534 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -12.542 tors. eta vs tors. theta energy: -17.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -220.298808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.298808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.298808 (E_RNA) where: Base-Base interactions energy: -152.437 where: short stacking energy: -68.220 Base-Backbone interact. energy: -0.002 local terms energy: -67.859213 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -10.166 flat angles C4'-P-C4' energy: -15.645 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -18.876 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: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -213.145089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.145089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.145089 (E_RNA) where: Base-Base interactions energy: -139.477 where: short stacking energy: -64.477 Base-Backbone interact. energy: 0.476 local terms energy: -74.143832 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -13.121 tors. eta vs tors. theta energy: -19.210 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -208.661064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.661064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.661064 (E_RNA) where: Base-Base interactions energy: -143.131 where: short stacking energy: -61.156 Base-Backbone interact. energy: 0.029 local terms energy: -65.558713 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -9.095 tors. eta vs tors. theta energy: -15.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -207.950388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.950388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.950388 (E_RNA) where: Base-Base interactions energy: -142.849 where: short stacking energy: -58.657 Base-Backbone interact. energy: 0.663 local terms energy: -65.764470 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -18.939 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: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -204.506315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.506315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.506315 (E_RNA) where: Base-Base interactions energy: -139.552 where: short stacking energy: -58.994 Base-Backbone interact. energy: -0.356 local terms energy: -64.598190 where: bonds (distance) C4'-P energy: -12.995 bonds (distance) P-C4' energy: -13.612 flat angles C4'-P-C4' energy: -14.458 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -15.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -195.832357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.832357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.832357 (E_RNA) where: Base-Base interactions energy: -138.753 where: short stacking energy: -56.200 Base-Backbone interact. energy: -0.096 local terms energy: -56.983872 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -8.190 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -15.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -197.778632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.778632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.778632 (E_RNA) where: Base-Base interactions energy: -136.628 where: short stacking energy: -55.315 Base-Backbone interact. energy: -0.100 local terms energy: -61.050342 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -10.077 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -19.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -81.218155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.218155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.218155 (E_RNA) where: Base-Base interactions energy: -24.322 where: short stacking energy: -23.382 Base-Backbone interact. energy: -0.414 local terms energy: -56.481537 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -11.907 tors. eta vs tors. theta energy: -3.854 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: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -79.469804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.469804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.469804 (E_RNA) where: Base-Base interactions energy: -27.594 where: short stacking energy: -26.218 Base-Backbone interact. energy: -0.238 local terms energy: -51.637778 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -13.066 flat angles C4'-P-C4' energy: -13.121 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -4.046 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: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -221.883464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.883464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.883464 (E_RNA) where: Base-Base interactions energy: -151.737 where: short stacking energy: -62.979 Base-Backbone interact. energy: -0.787 local terms energy: -69.359414 where: bonds (distance) C4'-P energy: -14.101 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -16.350 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -15.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -213.535227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.535227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.535227 (E_RNA) where: Base-Base interactions energy: -145.189 where: short stacking energy: -66.771 Base-Backbone interact. energy: -0.022 local terms energy: -68.324883 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -18.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -214.736322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.736322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.736322 (E_RNA) where: Base-Base interactions energy: -145.773 where: short stacking energy: -63.372 Base-Backbone interact. energy: -0.022 local terms energy: -68.940974 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -19.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -214.778515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.778515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.778515 (E_RNA) where: Base-Base interactions energy: -144.476 where: short stacking energy: -69.188 Base-Backbone interact. energy: -0.585 local terms energy: -69.716910 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -14.964 flat angles P-C4'-P energy: -9.288 tors. eta vs tors. theta energy: -19.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -210.801834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.801834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.801834 (E_RNA) where: Base-Base interactions energy: -146.570 where: short stacking energy: -63.739 Base-Backbone interact. energy: -0.112 local terms energy: -64.120323 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -9.141 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -17.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -199.669221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.669221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.669221 (E_RNA) where: Base-Base interactions energy: -135.477 where: short stacking energy: -60.720 Base-Backbone interact. energy: -0.016 local terms energy: -64.177145 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -16.184 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: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -199.922581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.922581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.922581 (E_RNA) where: Base-Base interactions energy: -135.513 where: short stacking energy: -59.263 Base-Backbone interact. energy: -0.022 local terms energy: -64.386715 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -16.973 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: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -168.473324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.473324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.473324 (E_RNA) where: Base-Base interactions energy: -106.807 where: short stacking energy: -44.755 Base-Backbone interact. energy: -0.079 local terms energy: -61.587444 where: bonds (distance) C4'-P energy: -11.315 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -11.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -81.686713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.686713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.686713 (E_RNA) where: Base-Base interactions energy: -41.571 where: short stacking energy: -23.654 Base-Backbone interact. energy: 0.923 local terms energy: -41.038957 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -77.811487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.811487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.811487 (E_RNA) where: Base-Base interactions energy: -37.513 where: short stacking energy: -37.513 Base-Backbone interact. energy: -0.038 local terms energy: -40.261005 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -218.602360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.602360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.602360 (E_RNA) where: Base-Base interactions energy: -145.957 where: short stacking energy: -66.861 Base-Backbone interact. energy: -0.022 local terms energy: -72.623085 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -15.252 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -20.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -222.367856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.367856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.367856 (E_RNA) where: Base-Base interactions energy: -148.251 where: short stacking energy: -66.142 Base-Backbone interact. energy: -0.588 local terms energy: -73.528397 where: bonds (distance) C4'-P energy: -15.305 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -19.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -215.780789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.780789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.780789 (E_RNA) where: Base-Base interactions energy: -152.608 where: short stacking energy: -69.006 Base-Backbone interact. energy: -0.056 local terms energy: -63.117028 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -17.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -212.628888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.628888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.628888 (E_RNA) where: Base-Base interactions energy: -143.248 where: short stacking energy: -61.090 Base-Backbone interact. energy: -0.001 local terms energy: -69.380337 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -13.841 flat angles C4'-P-C4' energy: -14.978 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -18.765 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: 8 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -204.602064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.602064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.602064 (E_RNA) where: Base-Base interactions energy: -141.788 where: short stacking energy: -59.004 Base-Backbone interact. energy: -0.047 local terms energy: -62.767345 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -16.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -209.846302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.846302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.846302 (E_RNA) where: Base-Base interactions energy: -136.291 where: short stacking energy: -64.015 Base-Backbone interact. energy: -0.021 local terms energy: -73.534970 where: bonds (distance) C4'-P energy: -13.966 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -19.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -195.849274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.849274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.849274 (E_RNA) where: Base-Base interactions energy: -138.558 where: short stacking energy: -65.448 Base-Backbone interact. energy: -0.001 local terms energy: -57.289456 where: bonds (distance) C4'-P energy: -8.359 bonds (distance) P-C4' energy: -8.210 flat angles C4'-P-C4' energy: -12.358 flat angles P-C4'-P energy: -7.749 tors. eta vs tors. theta energy: -20.614 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: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -184.958273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.958273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.958273 (E_RNA) where: Base-Base interactions energy: -118.915 where: short stacking energy: -47.049 Base-Backbone interact. energy: -1.291 local terms energy: -64.752595 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -12.856 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: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -77.902595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.902595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.902595 (E_RNA) where: Base-Base interactions energy: -30.435 where: short stacking energy: -30.435 Base-Backbone interact. energy: -0.204 local terms energy: -47.263495 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -5.464 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: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -69.512589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.512589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.512589 (E_RNA) where: Base-Base interactions energy: -27.150 where: short stacking energy: -23.377 Base-Backbone interact. energy: -0.089 local terms energy: -42.272955 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -15.202 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -224.136755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.136755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.136755 (E_RNA) where: Base-Base interactions energy: -155.339 where: short stacking energy: -66.604 Base-Backbone interact. energy: -0.553 local terms energy: -68.245414 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -15.858 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -17.325 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: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -220.600946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.600946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.600946 (E_RNA) where: Base-Base interactions energy: -152.166 where: short stacking energy: -63.679 Base-Backbone interact. energy: -0.058 local terms energy: -68.377139 where: bonds (distance) C4'-P energy: -8.189 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -18.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -216.257994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.257994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.257994 (E_RNA) where: Base-Base interactions energy: -155.951 where: short stacking energy: -59.252 Base-Backbone interact. energy: -0.814 local terms energy: -59.493282 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -8.127 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: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -205.302168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.302168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.302168 (E_RNA) where: Base-Base interactions energy: -135.705 where: short stacking energy: -57.924 Base-Backbone interact. energy: -0.063 local terms energy: -69.534486 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -12.955 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -11.806 tors. eta vs tors. theta energy: -14.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -209.344995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.344995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.344995 (E_RNA) where: Base-Base interactions energy: -139.360 where: short stacking energy: -67.590 Base-Backbone interact. energy: -0.000 local terms energy: -69.984425 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -21.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -203.473831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.473831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.473831 (E_RNA) where: Base-Base interactions energy: -138.718 where: short stacking energy: -66.169 Base-Backbone interact. energy: -0.417 local terms energy: -64.338251 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -11.387 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -19.390 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: 7, replica: 7 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -172.039222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.039222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.039222 (E_RNA) where: Base-Base interactions energy: -108.107 where: short stacking energy: -45.915 Base-Backbone interact. energy: -0.040 local terms energy: -63.892866 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -12.866 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: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -192.435936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.435936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.435936 (E_RNA) where: Base-Base interactions energy: -129.595 where: short stacking energy: -59.149 Base-Backbone interact. energy: -0.002 local terms energy: -62.838856 where: bonds (distance) C4'-P energy: -8.442 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -10.104 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -19.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -82.392580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.392580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.392580 (E_RNA) where: Base-Base interactions energy: -33.486 where: short stacking energy: -29.847 Base-Backbone interact. energy: -0.278 local terms energy: -48.629251 where: bonds (distance) C4'-P energy: -9.742 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -72.886468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.886468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.886468 (E_RNA) where: Base-Base interactions energy: -26.773 where: short stacking energy: -21.292 Base-Backbone interact. energy: -0.255 local terms energy: -45.858093 where: bonds (distance) C4'-P energy: -13.868 bonds (distance) P-C4' energy: -12.108 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -2.313 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: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -223.689899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.689899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.689899 (E_RNA) where: Base-Base interactions energy: -148.026 where: short stacking energy: -68.944 Base-Backbone interact. energy: -0.404 local terms energy: -75.260337 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -15.700 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -21.187 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: 2, replica: 9 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -219.472486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.472486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.472486 (E_RNA) where: Base-Base interactions energy: -150.562 where: short stacking energy: -63.705 Base-Backbone interact. energy: -0.399 local terms energy: -68.511298 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -11.126 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -12.014 tors. eta vs tors. theta energy: -17.946 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: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -210.971653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.971653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.971653 (E_RNA) where: Base-Base interactions energy: -147.462 where: short stacking energy: -65.886 Base-Backbone interact. energy: -0.006 local terms energy: -63.503426 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -13.890 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -20.232 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: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -215.708474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.708474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.708474 (E_RNA) where: Base-Base interactions energy: -145.532 where: short stacking energy: -65.141 Base-Backbone interact. energy: -0.155 local terms energy: -70.021710 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -13.938 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -19.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -208.747209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.747209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.747209 (E_RNA) where: Base-Base interactions energy: -146.635 where: short stacking energy: -63.552 Base-Backbone interact. energy: -0.025 local terms energy: -62.086681 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -9.734 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -17.598 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: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -198.488319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.488319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.488319 (E_RNA) where: Base-Base interactions energy: -135.767 where: short stacking energy: -54.303 Base-Backbone interact. energy: -0.492 local terms energy: -62.229225 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -15.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -166.243535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.243535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.243535 (E_RNA) where: Base-Base interactions energy: -114.349 where: short stacking energy: -46.618 Base-Backbone interact. energy: -0.168 local terms energy: -51.726654 where: bonds (distance) C4'-P energy: -9.842 bonds (distance) P-C4' energy: -8.191 flat angles C4'-P-C4' energy: -10.221 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -12.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -200.184231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.184231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.184231 (E_RNA) where: Base-Base interactions energy: -134.468 where: short stacking energy: -59.379 Base-Backbone interact. energy: -0.005 local terms energy: -65.711154 where: bonds (distance) C4'-P energy: -12.972 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -18.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -74.680018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.680018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.680018 (E_RNA) where: Base-Base interactions energy: -27.421 where: short stacking energy: -27.274 Base-Backbone interact. energy: -0.177 local terms energy: -47.081522 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -8.312 tors. eta vs tors. theta energy: 2.572 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: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -76.308106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.308106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.308106 (E_RNA) where: Base-Base interactions energy: -32.993 where: short stacking energy: -32.562 Base-Backbone interact. energy: -0.062 local terms energy: -43.252448 where: bonds (distance) C4'-P energy: -7.610 bonds (distance) P-C4' energy: -9.669 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -7.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -221.171999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.171999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.171999 (E_RNA) where: Base-Base interactions energy: -145.720 where: short stacking energy: -59.966 Base-Backbone interact. energy: -0.771 local terms energy: -74.681046 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -16.154 flat angles P-C4'-P energy: -13.298 tors. eta vs tors. theta energy: -20.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -226.392508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.392508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.392508 (E_RNA) where: Base-Base interactions energy: -148.029 where: short stacking energy: -64.123 Base-Backbone interact. energy: -0.325 local terms energy: -78.038479 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -15.431 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -14.139 tors. eta vs tors. theta energy: -19.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -211.553197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.553197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.553197 (E_RNA) where: Base-Base interactions energy: -147.645 where: short stacking energy: -64.862 Base-Backbone interact. energy: -0.021 local terms energy: -63.888127 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -17.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -211.957144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.957144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.957144 (E_RNA) where: Base-Base interactions energy: -145.826 where: short stacking energy: -66.332 Base-Backbone interact. energy: -0.046 local terms energy: -66.085452 where: bonds (distance) C4'-P energy: -13.274 bonds (distance) P-C4' energy: -10.222 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -19.642 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: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -213.088825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.088825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.088825 (E_RNA) where: Base-Base interactions energy: -142.566 where: short stacking energy: -66.730 Base-Backbone interact. energy: -0.022 local terms energy: -70.500435 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -18.622 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: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -200.679824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.679824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.679824 (E_RNA) where: Base-Base interactions energy: -142.646 where: short stacking energy: -62.252 Base-Backbone interact. energy: -0.322 local terms energy: -57.712486 where: bonds (distance) C4'-P energy: -7.495 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -10.530 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -15.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -205.785723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.785723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.785723 (E_RNA) where: Base-Base interactions energy: -137.320 where: short stacking energy: -61.767 Base-Backbone interact. energy: 0.329 local terms energy: -68.794474 where: bonds (distance) C4'-P energy: -13.492 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -16.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -188.176427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.176427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.176427 (E_RNA) where: Base-Base interactions energy: -133.683 where: short stacking energy: -51.570 Base-Backbone interact. energy: -0.671 local terms energy: -53.822869 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -7.785 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -11.476 tors. eta vs tors. theta energy: -15.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -80.569488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.569488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.569488 (E_RNA) where: Base-Base interactions energy: -26.791 where: short stacking energy: -26.791 Base-Backbone interact. energy: -0.089 local terms energy: -53.689290 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -2.055 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: 338 Temperature: 1.350000 Total energy: -92.897757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.897757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.897757 (E_RNA) where: Base-Base interactions energy: -54.013 where: short stacking energy: -21.755 Base-Backbone interact. energy: 1.061 local terms energy: -39.946554 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -10.251 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: 0.825 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: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -222.045353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.045353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.045353 (E_RNA) where: Base-Base interactions energy: -150.109 where: short stacking energy: -65.073 Base-Backbone interact. energy: -0.084 local terms energy: -71.853005 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -12.955 tors. eta vs tors. theta energy: -19.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -220.370801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.370801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.370801 (E_RNA) where: Base-Base interactions energy: -143.805 where: short stacking energy: -64.790 Base-Backbone interact. energy: -2.469 local terms energy: -74.096736 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -10.731 tors. eta vs tors. theta energy: -20.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -209.563333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.563333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.563333 (E_RNA) where: Base-Base interactions energy: -140.833 where: short stacking energy: -54.279 Base-Backbone interact. energy: -0.352 local terms energy: -68.378623 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -15.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -211.555335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.555335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.555335 (E_RNA) where: Base-Base interactions energy: -145.447 where: short stacking energy: -60.056 Base-Backbone interact. energy: -0.015 local terms energy: -66.092768 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -14.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -214.886347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.886347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.886347 (E_RNA) where: Base-Base interactions energy: -142.596 where: short stacking energy: -58.971 Base-Backbone interact. energy: 0.830 local terms energy: -73.119720 where: bonds (distance) C4'-P energy: -15.997 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -15.236 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -19.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -199.188410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.188410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.188410 (E_RNA) where: Base-Base interactions energy: -141.113 where: short stacking energy: -62.796 Base-Backbone interact. energy: -0.807 local terms energy: -57.268548 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.943 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: -15.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -194.831663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.831663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.831663 (E_RNA) where: Base-Base interactions energy: -131.813 where: short stacking energy: -54.352 Base-Backbone interact. energy: -0.137 local terms energy: -62.882373 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -12.752 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -11.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -197.141643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.141643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.141643 (E_RNA) where: Base-Base interactions energy: -139.428 where: short stacking energy: -49.927 Base-Backbone interact. energy: -0.387 local terms energy: -57.326374 where: bonds (distance) C4'-P energy: -9.638 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -13.444 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: -9.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -79.652634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.652634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.652634 (E_RNA) where: Base-Base interactions energy: -27.608 where: short stacking energy: -27.608 Base-Backbone interact. energy: -1.396 local terms energy: -50.648026 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -8.065 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: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -75.103162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.103162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.103162 (E_RNA) where: Base-Base interactions energy: -35.332 where: short stacking energy: -30.178 Base-Backbone interact. energy: 1.093 local terms energy: -40.863864 where: bonds (distance) C4'-P energy: -8.321 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -10.249 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -2.076 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: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -219.804254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.804254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.804254 (E_RNA) where: Base-Base interactions energy: -147.140 where: short stacking energy: -65.021 Base-Backbone interact. energy: -0.123 local terms energy: -72.541915 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -13.152 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -11.992 tors. eta vs tors. theta energy: -20.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -222.196780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.196780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.196780 (E_RNA) where: Base-Base interactions energy: -152.401 where: short stacking energy: -68.659 Base-Backbone interact. energy: -0.017 local terms energy: -69.778160 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -13.578 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -10.164 tors. eta vs tors. theta energy: -19.885 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: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -216.066893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.066893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.066893 (E_RNA) where: Base-Base interactions energy: -150.767 where: short stacking energy: -66.003 Base-Backbone interact. energy: -0.012 local terms energy: -65.288854 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -10.997 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -17.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -213.777917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.777917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.777917 (E_RNA) where: Base-Base interactions energy: -147.005 where: short stacking energy: -62.166 Base-Backbone interact. energy: -0.007 local terms energy: -66.766554 where: bonds (distance) C4'-P energy: -13.663 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -15.117 flat angles P-C4'-P energy: -6.372 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: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -207.841905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.841905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.841905 (E_RNA) where: Base-Base interactions energy: -142.032 where: short stacking energy: -59.961 Base-Backbone interact. energy: -0.054 local terms energy: -65.756035 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -15.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -201.881671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.881671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.881671 (E_RNA) where: Base-Base interactions energy: -143.069 where: short stacking energy: -62.525 Base-Backbone interact. energy: -0.785 local terms energy: -58.027761 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -19.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -189.333049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.333049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.333049 (E_RNA) where: Base-Base interactions energy: -126.888 where: short stacking energy: -48.753 Base-Backbone interact. energy: -0.099 local terms energy: -62.345801 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -10.302 flat angles P-C4'-P energy: -10.527 tors. eta vs tors. theta energy: -11.743 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: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -192.408350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.408350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.408350 (E_RNA) where: Base-Base interactions energy: -130.599 where: short stacking energy: -51.485 Base-Backbone interact. energy: -0.720 local terms energy: -61.089041 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -9.513 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -15.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -74.884898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.884898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.884898 (E_RNA) where: Base-Base interactions energy: -29.472 where: short stacking energy: -26.592 Base-Backbone interact. energy: -0.739 local terms energy: -44.674446 where: bonds (distance) C4'-P energy: -10.138 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: 1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -65.792380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.792380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.792380 (E_RNA) where: Base-Base interactions energy: -20.397 where: short stacking energy: -20.397 Base-Backbone interact. energy: -0.239 local terms energy: -45.156200 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -10.692 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: 0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -224.871711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.871711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.871711 (E_RNA) where: Base-Base interactions energy: -151.047 where: short stacking energy: -68.051 Base-Backbone interact. energy: -0.329 local terms energy: -73.495296 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -16.911 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -18.432 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: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -221.740656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.740656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.740656 (E_RNA) where: Base-Base interactions energy: -149.946 where: short stacking energy: -63.639 Base-Backbone interact. energy: -0.640 local terms energy: -71.154664 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -18.759 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: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -218.919588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.919588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.919588 (E_RNA) where: Base-Base interactions energy: -150.312 where: short stacking energy: -69.199 Base-Backbone interact. energy: -0.124 local terms energy: -68.482939 where: bonds (distance) C4'-P energy: -9.808 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -21.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -199.342241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.342241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.342241 (E_RNA) where: Base-Base interactions energy: -137.733 where: short stacking energy: -52.652 Base-Backbone interact. energy: -0.246 local terms energy: -61.363514 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -14.880 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -9.584 tors. eta vs tors. theta energy: -11.453 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: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -197.202190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.202190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.202190 (E_RNA) where: Base-Base interactions energy: -140.891 where: short stacking energy: -55.628 Base-Backbone interact. energy: -0.664 local terms energy: -55.646907 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -8.964 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -15.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -211.869344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.869344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.869344 (E_RNA) where: Base-Base interactions energy: -145.781 where: short stacking energy: -65.027 Base-Backbone interact. energy: -0.508 local terms energy: -65.580538 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -15.058 flat angles C4'-P-C4' energy: -11.995 flat angles P-C4'-P energy: -9.076 tors. eta vs tors. theta energy: -16.968 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: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -203.441971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.441971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.441971 (E_RNA) where: Base-Base interactions energy: -137.587 where: short stacking energy: -57.923 Base-Backbone interact. energy: -0.011 local terms energy: -65.844370 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -15.398 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -194.590206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.590206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.590206 (E_RNA) where: Base-Base interactions energy: -135.027 where: short stacking energy: -53.830 Base-Backbone interact. energy: -0.122 local terms energy: -59.440631 where: bonds (distance) C4'-P energy: -11.133 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -7.486 tors. eta vs tors. theta energy: -15.152 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: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -89.162616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.162616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.162616 (E_RNA) where: Base-Base interactions energy: -41.934 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.965 local terms energy: -46.264190 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -5.077 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: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -73.087489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.087489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.087489 (E_RNA) where: Base-Base interactions energy: -37.636 where: short stacking energy: -28.322 Base-Backbone interact. energy: -0.120 local terms energy: -35.330987 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -10.736 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: 1.295 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: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -229.334061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.334061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.334061 (E_RNA) where: Base-Base interactions energy: -156.212 where: short stacking energy: -67.970 Base-Backbone interact. energy: -0.113 local terms energy: -73.009370 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -12.319 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -19.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -220.422416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.422416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.422416 (E_RNA) where: Base-Base interactions energy: -153.768 where: short stacking energy: -67.107 Base-Backbone interact. energy: -0.019 local terms energy: -66.636109 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -11.291 flat angles C4'-P-C4' energy: -15.148 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -19.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -209.011985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.011985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.011985 (E_RNA) where: Base-Base interactions energy: -150.800 where: short stacking energy: -59.096 Base-Backbone interact. energy: -0.048 local terms energy: -58.163940 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -12.193 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -13.842 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: 342 Temperature: 1.050000 Total energy: -221.994526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.994526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.994526 (E_RNA) where: Base-Base interactions energy: -152.234 where: short stacking energy: -68.993 Base-Backbone interact. energy: -0.643 local terms energy: -69.117078 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -19.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -212.415510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.415510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.415510 (E_RNA) where: Base-Base interactions energy: -142.579 where: short stacking energy: -58.142 Base-Backbone interact. energy: -0.271 local terms energy: -69.565617 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -16.356 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -20.459 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: 342 Temperature: 1.150000 Total energy: -191.067572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.067572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.067572 (E_RNA) where: Base-Base interactions energy: -127.437 where: short stacking energy: -48.390 Base-Backbone interact. energy: -0.309 local terms energy: -63.322036 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -10.829 tors. eta vs tors. theta energy: -13.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -197.125023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.125023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.125023 (E_RNA) where: Base-Base interactions energy: -131.833 where: short stacking energy: -59.220 Base-Backbone interact. energy: -0.023 local terms energy: -65.268954 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -13.699 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -15.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -203.554709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.554709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.554709 (E_RNA) where: Base-Base interactions energy: -137.634 where: short stacking energy: -60.527 Base-Backbone interact. energy: -0.322 local terms energy: -65.598633 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -15.914 flat angles C4'-P-C4' energy: -10.119 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -17.211 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: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -74.013647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.013647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.013647 (E_RNA) where: Base-Base interactions energy: -34.772 where: short stacking energy: -29.301 Base-Backbone interact. energy: 0.442 local terms energy: -39.683877 where: bonds (distance) C4'-P energy: -11.030 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: 0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -97.132225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.132225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.132225 (E_RNA) where: Base-Base interactions energy: -61.771 where: short stacking energy: -34.779 Base-Backbone interact. energy: -0.276 local terms energy: -35.084610 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -11.537 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -1.010 tors. eta vs tors. theta energy: -9.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -226.133684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.133684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.133684 (E_RNA) where: Base-Base interactions energy: -151.726 where: short stacking energy: -70.150 Base-Backbone interact. energy: -0.001 local terms energy: -74.407041 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -20.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -217.345942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.345942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.345942 (E_RNA) where: Base-Base interactions energy: -144.396 where: short stacking energy: -61.047 Base-Backbone interact. energy: -0.002 local terms energy: -72.948376 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -16.223 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -20.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -221.619648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.619648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.619648 (E_RNA) where: Base-Base interactions energy: -144.148 where: short stacking energy: -60.868 Base-Backbone interact. energy: -0.026 local terms energy: -77.446511 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -12.597 tors. eta vs tors. theta energy: -19.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -211.445663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.445663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.445663 (E_RNA) where: Base-Base interactions energy: -144.217 where: short stacking energy: -61.075 Base-Backbone interact. energy: -0.012 local terms energy: -67.217001 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -15.873 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: 5, replica: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -204.918804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.918804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.918804 (E_RNA) where: Base-Base interactions energy: -138.059 where: short stacking energy: -59.960 Base-Backbone interact. energy: -0.290 local terms energy: -66.569512 where: bonds (distance) C4'-P energy: -12.221 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -11.405 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -19.717 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: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -198.667626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.667626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.667626 (E_RNA) where: Base-Base interactions energy: -137.928 where: short stacking energy: -58.508 Base-Backbone interact. energy: -0.304 local terms energy: -60.436390 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -11.553 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -11.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -204.334614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.334614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.334614 (E_RNA) where: Base-Base interactions energy: -145.204 where: short stacking energy: -66.128 Base-Backbone interact. energy: -0.003 local terms energy: -59.127002 where: bonds (distance) C4'-P energy: -9.417 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -19.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -198.109373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.109373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.109373 (E_RNA) where: Base-Base interactions energy: -134.121 where: short stacking energy: -50.164 Base-Backbone interact. energy: -0.053 local terms energy: -63.935099 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -73.691057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.691057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.691057 (E_RNA) where: Base-Base interactions energy: -24.427 where: short stacking energy: -24.427 Base-Backbone interact. energy: -0.292 local terms energy: -48.972351 where: bonds (distance) C4'-P energy: -15.120 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -7.934 tors. eta vs tors. theta energy: 0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -87.935540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.935540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.935540 (E_RNA) where: Base-Base interactions energy: -47.055 where: short stacking energy: -29.477 Base-Backbone interact. energy: -0.259 local terms energy: -40.621473 where: bonds (distance) C4'-P energy: -16.204 bonds (distance) P-C4' energy: -10.144 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -2.229 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: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -223.479611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.479611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.479611 (E_RNA) where: Base-Base interactions energy: -155.685 where: short stacking energy: -69.787 Base-Backbone interact. energy: -0.009 local terms energy: -67.785083 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -10.865 flat angles C4'-P-C4' energy: -16.035 flat angles P-C4'-P energy: -8.142 tors. eta vs tors. theta energy: -18.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -218.717005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.717005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.717005 (E_RNA) where: Base-Base interactions energy: -151.251 where: short stacking energy: -69.415 Base-Backbone interact. energy: -0.008 local terms energy: -67.458002 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -13.062 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -20.047 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: 344 Temperature: 1.000000 Total energy: -215.338955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.338955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.338955 (E_RNA) where: Base-Base interactions energy: -147.556 where: short stacking energy: -68.452 Base-Backbone interact. energy: -0.521 local terms energy: -67.261840 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -20.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -209.074121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.074121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.074121 (E_RNA) where: Base-Base interactions energy: -144.967 where: short stacking energy: -62.692 Base-Backbone interact. energy: -0.013 local terms energy: -64.094236 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -16.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -203.658612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.658612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.658612 (E_RNA) where: Base-Base interactions energy: -136.864 where: short stacking energy: -52.857 Base-Backbone interact. energy: -0.155 local terms energy: -66.640113 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -11.956 flat angles C4'-P-C4' energy: -15.466 flat angles P-C4'-P energy: -9.942 tors. eta vs tors. theta energy: -15.759 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: 344 Temperature: 1.150000 Total energy: -207.193077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.193077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.193077 (E_RNA) where: Base-Base interactions energy: -143.692 where: short stacking energy: -61.229 Base-Backbone interact. energy: -0.398 local terms energy: -63.102237 where: bonds (distance) C4'-P energy: -9.798 bonds (distance) P-C4' energy: -13.657 flat angles C4'-P-C4' energy: -14.664 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -18.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -205.446689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.446689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.446689 (E_RNA) where: Base-Base interactions energy: -140.755 where: short stacking energy: -55.621 Base-Backbone interact. energy: -1.031 local terms energy: -63.661408 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -14.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -180.796653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.796653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.796653 (E_RNA) where: Base-Base interactions energy: -123.964 where: short stacking energy: -54.469 Base-Backbone interact. energy: -0.102 local terms energy: -56.730913 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -11.534 tors. eta vs tors. theta energy: -12.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -83.140700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.140700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.140700 (E_RNA) where: Base-Base interactions energy: -27.421 where: short stacking energy: -27.421 Base-Backbone interact. energy: -0.360 local terms energy: -55.360347 where: bonds (distance) C4'-P energy: -11.504 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -11.230 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -68.617510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.617510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.617510 (E_RNA) where: Base-Base interactions energy: -21.035 where: short stacking energy: -21.035 Base-Backbone interact. energy: -0.010 local terms energy: -47.572022 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -221.812358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.812358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.812358 (E_RNA) where: Base-Base interactions energy: -149.817 where: short stacking energy: -68.202 Base-Backbone interact. energy: -0.758 local terms energy: -71.236911 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -14.362 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -18.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -218.721641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.721641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.721641 (E_RNA) where: Base-Base interactions energy: -143.008 where: short stacking energy: -62.139 Base-Backbone interact. energy: -0.000 local terms energy: -75.713600 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -12.714 tors. eta vs tors. theta energy: -19.196 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: 5 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -217.189682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.189682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.189682 (E_RNA) where: Base-Base interactions energy: -152.920 where: short stacking energy: -59.987 Base-Backbone interact. energy: -0.078 local terms energy: -64.191826 where: bonds (distance) C4'-P energy: -10.818 bonds (distance) P-C4' energy: -11.201 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -9.619 tors. eta vs tors. theta energy: -18.325 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: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -204.196293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.196293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.196293 (E_RNA) where: Base-Base interactions energy: -134.440 where: short stacking energy: -57.122 Base-Backbone interact. energy: -0.117 local terms energy: -69.639188 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -15.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -208.292612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.292612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.292612 (E_RNA) where: Base-Base interactions energy: -140.570 where: short stacking energy: -60.788 Base-Backbone interact. energy: -0.003 local terms energy: -67.720324 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -9.832 tors. eta vs tors. theta energy: -17.060 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: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -201.919184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.919184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.919184 (E_RNA) where: Base-Base interactions energy: -134.928 where: short stacking energy: -60.404 Base-Backbone interact. energy: -0.001 local terms energy: -66.990283 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -15.266 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -19.724 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: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -199.052554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.052554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.052554 (E_RNA) where: Base-Base interactions energy: -138.525 where: short stacking energy: -61.370 Base-Backbone interact. energy: -0.003 local terms energy: -60.525154 where: bonds (distance) C4'-P energy: -9.951 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -14.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -164.698758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.698758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.698758 (E_RNA) where: Base-Base interactions energy: -112.029 where: short stacking energy: -44.781 Base-Backbone interact. energy: -0.220 local terms energy: -52.449860 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -14.525 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -10.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -67.486785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.486785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.486785 (E_RNA) where: Base-Base interactions energy: -32.557 where: short stacking energy: -20.151 Base-Backbone interact. energy: -0.288 local terms energy: -34.641953 where: bonds (distance) C4'-P energy: -11.842 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: 2.676 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: 345 Temperature: 1.350000 Total energy: -77.856708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.856708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.856708 (E_RNA) where: Base-Base interactions energy: -33.158 where: short stacking energy: -17.466 Base-Backbone interact. energy: -0.176 local terms energy: -44.522515 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -9.713 flat angles C4'-P-C4' energy: -10.865 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -0.397 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: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -217.541293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.541293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.541293 (E_RNA) where: Base-Base interactions energy: -146.084 where: short stacking energy: -58.467 Base-Backbone interact. energy: -0.220 local terms energy: -71.237627 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -13.061 flat angles P-C4'-P energy: -13.794 tors. eta vs tors. theta energy: -17.941 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: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -217.058322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.058322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.058322 (E_RNA) where: Base-Base interactions energy: -142.696 where: short stacking energy: -60.674 Base-Backbone interact. energy: -0.244 local terms energy: -74.117739 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -14.754 flat angles P-C4'-P energy: -11.624 tors. eta vs tors. theta energy: -17.954 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: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -207.952504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.952504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.952504 (E_RNA) where: Base-Base interactions energy: -139.591 where: short stacking energy: -59.682 Base-Backbone interact. energy: -0.200 local terms energy: -68.160830 where: bonds (distance) C4'-P energy: -12.397 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -17.243 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: 4, replica: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -209.372877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.372877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.372877 (E_RNA) where: Base-Base interactions energy: -142.032 where: short stacking energy: -63.658 Base-Backbone interact. energy: -0.008 local terms energy: -67.332431 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -11.432 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -10.389 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: 5, replica: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -212.355040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.355040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.355040 (E_RNA) where: Base-Base interactions energy: -144.808 where: short stacking energy: -62.857 Base-Backbone interact. energy: -0.439 local terms energy: -67.108651 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -14.456 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -15.735 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: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -211.415956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.415956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.415956 (E_RNA) where: Base-Base interactions energy: -140.757 where: short stacking energy: -64.897 Base-Backbone interact. energy: -0.000 local terms energy: -70.659044 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -18.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -203.042235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.042235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.042235 (E_RNA) where: Base-Base interactions energy: -146.756 where: short stacking energy: -60.679 Base-Backbone interact. energy: -0.276 local terms energy: -56.009968 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -7.583 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -18.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -185.364388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.364388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.364388 (E_RNA) where: Base-Base interactions energy: -123.539 where: short stacking energy: -49.834 Base-Backbone interact. energy: -0.149 local terms energy: -61.676458 where: bonds (distance) C4'-P energy: -12.159 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -10.708 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -14.896 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: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -71.869433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.869433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.869433 (E_RNA) where: Base-Base interactions energy: -28.027 where: short stacking energy: -28.027 Base-Backbone interact. energy: -0.115 local terms energy: -43.727761 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -10.646 flat angles P-C4'-P energy: -1.797 tors. eta vs tors. theta energy: -4.283 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: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -68.078543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.078543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.078543 (E_RNA) where: Base-Base interactions energy: -25.449 where: short stacking energy: -25.449 Base-Backbone interact. energy: -0.224 local terms energy: -42.404970 where: bonds (distance) C4'-P energy: -11.529 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: 2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -223.081705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.081705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.081705 (E_RNA) where: Base-Base interactions energy: -156.185 where: short stacking energy: -68.148 Base-Backbone interact. energy: 0.777 local terms energy: -67.673765 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -11.296 flat angles C4'-P-C4' energy: -16.122 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -16.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -219.177067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.177067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.177067 (E_RNA) where: Base-Base interactions energy: -151.150 where: short stacking energy: -65.006 Base-Backbone interact. energy: -0.719 local terms energy: -67.308081 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -13.164 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -8.551 tors. eta vs tors. theta energy: -20.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -216.189373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.189373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.189373 (E_RNA) where: Base-Base interactions energy: -151.561 where: short stacking energy: -65.841 Base-Backbone interact. energy: -0.631 local terms energy: -63.998070 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -209.744212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.744212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.744212 (E_RNA) where: Base-Base interactions energy: -147.615 where: short stacking energy: -59.093 Base-Backbone interact. energy: -0.092 local terms energy: -62.036946 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -11.816 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -16.783 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: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -197.530204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.530204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.530204 (E_RNA) where: Base-Base interactions energy: -140.143 where: short stacking energy: -54.347 Base-Backbone interact. energy: -0.603 local terms energy: -56.783636 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -7.141 tors. eta vs tors. theta energy: -9.960 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: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -217.962044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.962044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.962044 (E_RNA) where: Base-Base interactions energy: -147.597 where: short stacking energy: -62.140 Base-Backbone interact. energy: -0.212 local terms energy: -70.153116 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: -19.948 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: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -198.850318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.850318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.850318 (E_RNA) where: Base-Base interactions energy: -140.264 where: short stacking energy: -60.348 Base-Backbone interact. energy: -0.381 local terms energy: -58.204913 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -12.872 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -16.908 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: 2 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -194.530974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.530974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.530974 (E_RNA) where: Base-Base interactions energy: -131.828 where: short stacking energy: -55.949 Base-Backbone interact. energy: -0.002 local terms energy: -62.701373 where: bonds (distance) C4'-P energy: -13.449 bonds (distance) P-C4' energy: -8.110 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -10.367 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -83.356163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.356163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.356163 (E_RNA) where: Base-Base interactions energy: -33.919 where: short stacking energy: -30.405 Base-Backbone interact. energy: -0.055 local terms energy: -49.381814 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -10.365 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -6.665 tors. eta vs tors. theta energy: -5.204 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: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -75.292999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.292999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.292999 (E_RNA) where: Base-Base interactions energy: -22.839 where: short stacking energy: -21.476 Base-Backbone interact. energy: -0.536 local terms energy: -51.918447 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -12.946 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -3.169 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: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -221.291984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.291984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.291984 (E_RNA) where: Base-Base interactions energy: -149.060 where: short stacking energy: -65.234 Base-Backbone interact. energy: -0.014 local terms energy: -72.217488 where: bonds (distance) C4'-P energy: -14.265 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -10.221 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: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -215.941801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.941801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.941801 (E_RNA) where: Base-Base interactions energy: -147.969 where: short stacking energy: -67.156 Base-Backbone interact. energy: -0.002 local terms energy: -67.970614 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -14.929 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -18.296 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: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -217.660600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.660600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.660600 (E_RNA) where: Base-Base interactions energy: -144.877 where: short stacking energy: -65.082 Base-Backbone interact. energy: -0.002 local terms energy: -72.780869 where: bonds (distance) C4'-P energy: -10.942 bonds (distance) P-C4' energy: -17.365 flat angles C4'-P-C4' energy: -15.899 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -20.635 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: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -206.366148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.366148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.366148 (E_RNA) where: Base-Base interactions energy: -143.395 where: short stacking energy: -64.938 Base-Backbone interact. energy: -0.030 local terms energy: -62.940949 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -10.534 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -6.300 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: 5, replica: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -206.568162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.568162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.568162 (E_RNA) where: Base-Base interactions energy: -138.037 where: short stacking energy: -58.986 Base-Backbone interact. energy: -0.084 local terms energy: -68.446889 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -16.562 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: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -185.401331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.401331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.401331 (E_RNA) where: Base-Base interactions energy: -131.697 where: short stacking energy: -55.726 Base-Backbone interact. energy: -0.768 local terms energy: -52.936266 where: bonds (distance) C4'-P energy: -10.183 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -10.272 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -10.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -190.950666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.950666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.950666 (E_RNA) where: Base-Base interactions energy: -136.810 where: short stacking energy: -51.788 Base-Backbone interact. energy: 0.409 local terms energy: -54.550039 where: bonds (distance) C4'-P energy: -9.614 bonds (distance) P-C4' energy: -6.979 flat angles C4'-P-C4' energy: -11.831 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -15.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -193.052375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.052375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.052375 (E_RNA) where: Base-Base interactions energy: -131.400 where: short stacking energy: -50.318 Base-Backbone interact. energy: -0.281 local terms energy: -61.371066 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -12.829 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -13.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -70.478011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.478011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.478011 (E_RNA) where: Base-Base interactions energy: -35.162 where: short stacking energy: -29.813 Base-Backbone interact. energy: -0.059 local terms energy: -35.257564 where: bonds (distance) C4'-P energy: -9.754 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -6.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -76.948194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.948194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.948194 (E_RNA) where: Base-Base interactions energy: -31.566 where: short stacking energy: -31.566 Base-Backbone interact. energy: 0.308 local terms energy: -45.690507 where: bonds (distance) C4'-P energy: -9.598 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -8.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -214.957107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.957107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.957107 (E_RNA) where: Base-Base interactions energy: -138.792 where: short stacking energy: -56.869 Base-Backbone interact. energy: -0.634 local terms energy: -75.531387 where: bonds (distance) C4'-P energy: -15.367 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -16.285 flat angles P-C4'-P energy: -12.118 tors. eta vs tors. theta energy: -14.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -220.846205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.846205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.846205 (E_RNA) where: Base-Base interactions energy: -153.469 where: short stacking energy: -69.610 Base-Backbone interact. energy: -0.054 local terms energy: -67.322427 where: bonds (distance) C4'-P energy: -9.737 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -15.452 flat angles P-C4'-P energy: -9.286 tors. eta vs tors. theta energy: -18.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -215.055972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.055972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.055972 (E_RNA) where: Base-Base interactions energy: -143.844 where: short stacking energy: -63.196 Base-Backbone interact. energy: -0.029 local terms energy: -71.183125 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -15.165 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -11.018 tors. eta vs tors. theta energy: -18.032 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: 349 Temperature: 1.050000 Total energy: -214.932691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.932691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.932691 (E_RNA) where: Base-Base interactions energy: -150.026 where: short stacking energy: -65.869 Base-Backbone interact. energy: -0.003 local terms energy: -64.903920 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -13.446 flat angles C4'-P-C4' energy: -10.657 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -19.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -188.580906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.580906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.580906 (E_RNA) where: Base-Base interactions energy: -137.395 where: short stacking energy: -63.898 Base-Backbone interact. energy: -0.438 local terms energy: -50.747592 where: bonds (distance) C4'-P energy: -9.650 bonds (distance) P-C4' energy: -12.269 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -14.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -200.720855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.720855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.720855 (E_RNA) where: Base-Base interactions energy: -138.739 where: short stacking energy: -62.572 Base-Backbone interact. energy: -0.410 local terms energy: -61.571294 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -10.264 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -14.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -200.067678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.067678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.067678 (E_RNA) where: Base-Base interactions energy: -136.136 where: short stacking energy: -55.555 Base-Backbone interact. energy: -0.018 local terms energy: -63.913750 where: bonds (distance) C4'-P energy: -13.762 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -14.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -153.615442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.615442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.615442 (E_RNA) where: Base-Base interactions energy: -102.972 where: short stacking energy: -39.185 Base-Backbone interact. energy: -0.002 local terms energy: -50.641223 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -7.526 tors. eta vs tors. theta energy: -9.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -74.013053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.013053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.013053 (E_RNA) where: Base-Base interactions energy: -26.386 where: short stacking energy: -26.384 Base-Backbone interact. energy: -0.374 local terms energy: -47.252832 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -82.451982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.451982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.451982 (E_RNA) where: Base-Base interactions energy: -28.529 where: short stacking energy: -27.015 Base-Backbone interact. energy: -0.072 local terms energy: -53.851353 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -5.950 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: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -225.198452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.198452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.198452 (E_RNA) where: Base-Base interactions energy: -152.890 where: short stacking energy: -70.308 Base-Backbone interact. energy: -0.353 local terms energy: -71.955482 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -17.190 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: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -220.653685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.653685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.653685 (E_RNA) where: Base-Base interactions energy: -156.446 where: short stacking energy: -65.095 Base-Backbone interact. energy: -0.006 local terms energy: -64.201448 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -13.729 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -16.617 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: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -209.646208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.646208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.646208 (E_RNA) where: Base-Base interactions energy: -144.809 where: short stacking energy: -57.570 Base-Backbone interact. energy: -0.767 local terms energy: -64.070646 where: bonds (distance) C4'-P energy: -13.827 bonds (distance) P-C4' energy: -12.903 flat angles C4'-P-C4' energy: -13.572 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -17.077 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: 4, replica: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -206.694880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.694880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.694880 (E_RNA) where: Base-Base interactions energy: -139.654 where: short stacking energy: -59.813 Base-Backbone interact. energy: -0.577 local terms energy: -66.464218 where: bonds (distance) C4'-P energy: -14.598 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -13.756 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: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -206.467579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.467579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.467579 (E_RNA) where: Base-Base interactions energy: -143.903 where: short stacking energy: -66.469 Base-Backbone interact. energy: -0.021 local terms energy: -62.543673 where: bonds (distance) C4'-P energy: -9.096 bonds (distance) P-C4' energy: -11.010 flat angles C4'-P-C4' energy: -15.837 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -19.397 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: 6, replica: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -195.749268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.749268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.749268 (E_RNA) where: Base-Base interactions energy: -129.273 where: short stacking energy: -53.327 Base-Backbone interact. energy: -0.223 local terms energy: -66.253499 where: bonds (distance) C4'-P energy: -13.641 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -12.526 tors. eta vs tors. theta energy: -13.759 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: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -172.258558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.258558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.258558 (E_RNA) where: Base-Base interactions energy: -117.516 where: short stacking energy: -52.339 Base-Backbone interact. energy: 0.890 local terms energy: -55.631968 where: bonds (distance) C4'-P energy: -10.093 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -13.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -191.407891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.407891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.407891 (E_RNA) where: Base-Base interactions energy: -136.455 where: short stacking energy: -51.562 Base-Backbone interact. energy: -0.030 local terms energy: -54.923312 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -12.358 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: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -81.742493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.742493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.742493 (E_RNA) where: Base-Base interactions energy: -37.063 where: short stacking energy: -32.941 Base-Backbone interact. energy: -0.122 local terms energy: -44.557574 where: bonds (distance) C4'-P energy: -10.876 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -7.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -74.664015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.664015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.664015 (E_RNA) where: Base-Base interactions energy: -33.083 where: short stacking energy: -33.083 Base-Backbone interact. energy: -0.132 local terms energy: -41.449415 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -11.104 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -220.345122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.345122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.345122 (E_RNA) where: Base-Base interactions energy: -147.505 where: short stacking energy: -62.487 Base-Backbone interact. energy: -0.606 local terms energy: -72.233227 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -13.429 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -19.385 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: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -219.295010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.295010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.295010 (E_RNA) where: Base-Base interactions energy: -155.280 where: short stacking energy: -62.460 Base-Backbone interact. energy: -0.006 local terms energy: -64.009347 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -16.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -219.711027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.711027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.711027 (E_RNA) where: Base-Base interactions energy: -144.449 where: short stacking energy: -65.014 Base-Backbone interact. energy: -0.374 local terms energy: -74.887839 where: bonds (distance) C4'-P energy: -15.243 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -15.257 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -19.462 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: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -207.360749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.360749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.360749 (E_RNA) where: Base-Base interactions energy: -144.582 where: short stacking energy: -64.529 Base-Backbone interact. energy: 0.891 local terms energy: -63.669920 where: bonds (distance) C4'-P energy: -10.216 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -17.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -200.731464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.731464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.731464 (E_RNA) where: Base-Base interactions energy: -136.458 where: short stacking energy: -57.382 Base-Backbone interact. energy: -0.024 local terms energy: -64.249272 where: bonds (distance) C4'-P energy: -8.235 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -12.147 flat angles P-C4'-P energy: -10.939 tors. eta vs tors. theta energy: -16.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -201.581864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.581864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.581864 (E_RNA) where: Base-Base interactions energy: -136.560 where: short stacking energy: -60.453 Base-Backbone interact. energy: -0.204 local terms energy: -64.817655 where: bonds (distance) C4'-P energy: -15.348 bonds (distance) P-C4' energy: -13.789 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -7.158 tors. eta vs tors. theta energy: -16.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -200.286049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.286049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.286049 (E_RNA) where: Base-Base interactions energy: -136.981 where: short stacking energy: -58.924 Base-Backbone interact. energy: -0.006 local terms energy: -63.298691 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -9.831 flat angles P-C4'-P energy: -7.651 tors. eta vs tors. theta energy: -17.573 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: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -185.776325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.776325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.776325 (E_RNA) where: Base-Base interactions energy: -133.522 where: short stacking energy: -53.227 Base-Backbone interact. energy: -0.047 local terms energy: -52.207733 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -9.255 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -13.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -80.726577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.726577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.726577 (E_RNA) where: Base-Base interactions energy: -33.532 where: short stacking energy: -20.326 Base-Backbone interact. energy: -0.146 local terms energy: -47.049130 where: bonds (distance) C4'-P energy: -14.157 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -9.519 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -5.291 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: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -70.929429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.929429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.929429 (E_RNA) where: Base-Base interactions energy: -32.395 where: short stacking energy: -20.138 Base-Backbone interact. energy: -0.128 local terms energy: -38.406332 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -10.355 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: 2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -219.414774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.414774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.414774 (E_RNA) where: Base-Base interactions energy: -152.128 where: short stacking energy: -66.588 Base-Backbone interact. energy: -0.006 local terms energy: -67.281105 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -16.658 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -17.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -216.410211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.410211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.410211 (E_RNA) where: Base-Base interactions energy: -150.352 where: short stacking energy: -71.704 Base-Backbone interact. energy: -0.008 local terms energy: -66.050925 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -14.896 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -16.882 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: 3, replica: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -218.626371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.626371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.626371 (E_RNA) where: Base-Base interactions energy: -146.209 where: short stacking energy: -65.728 Base-Backbone interact. energy: -0.120 local terms energy: -72.296936 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -12.892 flat angles P-C4'-P energy: -11.453 tors. eta vs tors. theta energy: -19.032 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: 352 Temperature: 1.050000 Total energy: -210.538693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.538693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.538693 (E_RNA) where: Base-Base interactions energy: -145.998 where: short stacking energy: -63.011 Base-Backbone interact. energy: -0.000 local terms energy: -64.540559 where: bonds (distance) C4'-P energy: -14.151 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -9.128 flat angles P-C4'-P energy: -7.643 tors. eta vs tors. theta energy: -20.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -209.477423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.477423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.477423 (E_RNA) where: Base-Base interactions energy: -140.792 where: short stacking energy: -51.495 Base-Backbone interact. energy: -0.730 local terms energy: -67.955912 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -12.014 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -18.427 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: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -207.626015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.626015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.626015 (E_RNA) where: Base-Base interactions energy: -141.558 where: short stacking energy: -63.311 Base-Backbone interact. energy: -0.012 local terms energy: -66.055302 where: bonds (distance) C4'-P energy: -10.355 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -18.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -198.447231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.447231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.447231 (E_RNA) where: Base-Base interactions energy: -134.647 where: short stacking energy: -52.890 Base-Backbone interact. energy: 0.132 local terms energy: -63.932879 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -15.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -186.559976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.559976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.559976 (E_RNA) where: Base-Base interactions energy: -128.717 where: short stacking energy: -50.869 Base-Backbone interact. energy: -0.089 local terms energy: -57.753975 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -12.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -74.912805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.912805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.912805 (E_RNA) where: Base-Base interactions energy: -23.111 where: short stacking energy: -23.111 Base-Backbone interact. energy: -0.103 local terms energy: -51.698482 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -13.428 flat angles C4'-P-C4' energy: -10.716 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -5.375 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: 352 Temperature: 1.350000 Total energy: -74.724344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.724344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.724344 (E_RNA) where: Base-Base interactions energy: -26.179 where: short stacking energy: -21.744 Base-Backbone interact. energy: -0.383 local terms energy: -48.163189 where: bonds (distance) C4'-P energy: -9.455 bonds (distance) P-C4' energy: -15.412 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -217.875350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.875350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.875350 (E_RNA) where: Base-Base interactions energy: -149.076 where: short stacking energy: -67.347 Base-Backbone interact. energy: -0.053 local terms energy: -68.746557 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -17.248 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: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -215.368079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.368079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.368079 (E_RNA) where: Base-Base interactions energy: -149.193 where: short stacking energy: -65.073 Base-Backbone interact. energy: -0.292 local terms energy: -65.883877 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -17.735 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: 353 Temperature: 1.000000 Total energy: -213.193439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.193439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.193439 (E_RNA) where: Base-Base interactions energy: -144.570 where: short stacking energy: -59.879 Base-Backbone interact. energy: -0.180 local terms energy: -68.443517 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -8.197 tors. eta vs tors. theta energy: -16.622 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: 353 Temperature: 1.050000 Total energy: -207.159818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.159818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.159818 (E_RNA) where: Base-Base interactions energy: -138.861 where: short stacking energy: -56.017 Base-Backbone interact. energy: -0.081 local terms energy: -68.217732 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -16.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -203.007715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.007715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.007715 (E_RNA) where: Base-Base interactions energy: -136.538 where: short stacking energy: -55.262 Base-Backbone interact. energy: -0.199 local terms energy: -66.271310 where: bonds (distance) C4'-P energy: -16.175 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -16.394 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: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -206.050640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.050640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.050640 (E_RNA) where: Base-Base interactions energy: -141.875 where: short stacking energy: -62.664 Base-Backbone interact. energy: -0.042 local terms energy: -64.134445 where: bonds (distance) C4'-P energy: -8.061 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -19.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -194.004210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.004210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.004210 (E_RNA) where: Base-Base interactions energy: -131.641 where: short stacking energy: -51.156 Base-Backbone interact. energy: 0.219 local terms energy: -62.582550 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -7.626 tors. eta vs tors. theta energy: -12.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -168.820768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.820768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.820768 (E_RNA) where: Base-Base interactions energy: -108.783 where: short stacking energy: -53.418 Base-Backbone interact. energy: -0.903 local terms energy: -59.134401 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -10.832 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -74.536088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.536088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.536088 (E_RNA) where: Base-Base interactions energy: -29.276 where: short stacking energy: -28.465 Base-Backbone interact. energy: -0.326 local terms energy: -44.934270 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -11.023 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -5.835 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: 353 Temperature: 1.350000 Total energy: -76.183027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.183027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.183027 (E_RNA) where: Base-Base interactions energy: -34.868 where: short stacking energy: -31.540 Base-Backbone interact. energy: -0.183 local terms energy: -41.132301 where: bonds (distance) C4'-P energy: -8.682 bonds (distance) P-C4' energy: -12.304 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -218.999210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.999210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.999210 (E_RNA) where: Base-Base interactions energy: -147.767 where: short stacking energy: -67.096 Base-Backbone interact. energy: -0.015 local terms energy: -71.217878 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -19.991 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: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -213.783794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.783794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.783794 (E_RNA) where: Base-Base interactions energy: -141.943 where: short stacking energy: -66.211 Base-Backbone interact. energy: -0.048 local terms energy: -71.792164 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -16.580 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -17.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -210.771173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.771173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.771173 (E_RNA) where: Base-Base interactions energy: -139.439 where: short stacking energy: -59.557 Base-Backbone interact. energy: -0.329 local terms energy: -71.003301 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -214.003072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.003072 (E_RNA) where: Base-Base interactions energy: -143.927 where: short stacking energy: -63.842 Base-Backbone interact. energy: -0.008 local terms energy: -70.068325 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -15.884 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -20.422 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: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -204.891250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.891250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.891250 (E_RNA) where: Base-Base interactions energy: -144.209 where: short stacking energy: -59.899 Base-Backbone interact. energy: -0.500 local terms energy: -60.181874 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -8.349 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -18.025 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: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -199.871538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.871538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.871538 (E_RNA) where: Base-Base interactions energy: -137.527 where: short stacking energy: -62.824 Base-Backbone interact. energy: -0.000 local terms energy: -62.344011 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -12.499 flat angles C4'-P-C4' energy: -11.808 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -18.176 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: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -163.720143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.720143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.720143 (E_RNA) where: Base-Base interactions energy: -106.321 where: short stacking energy: -40.597 Base-Backbone interact. energy: -0.055 local terms energy: -57.343448 where: bonds (distance) C4'-P energy: -14.271 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -191.327128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.327128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.327128 (E_RNA) where: Base-Base interactions energy: -135.087 where: short stacking energy: -55.091 Base-Backbone interact. energy: -0.003 local terms energy: -56.236605 where: bonds (distance) C4'-P energy: -9.522 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -6.504 tors. eta vs tors. theta energy: -13.965 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: 1 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -92.137254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.137254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.137254 (E_RNA) where: Base-Base interactions energy: -40.523 where: short stacking energy: -40.523 Base-Backbone interact. energy: -0.066 local terms energy: -51.548387 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -13.122 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -4.548 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: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -71.298031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.298031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.298031 (E_RNA) where: Base-Base interactions energy: -25.469 where: short stacking energy: -21.904 Base-Backbone interact. energy: -0.052 local terms energy: -45.777602 where: bonds (distance) C4'-P energy: -14.338 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -12.004 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -223.116012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.116012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.116012 (E_RNA) where: Base-Base interactions energy: -147.342 where: short stacking energy: -64.490 Base-Backbone interact. energy: -2.658 local terms energy: -73.116392 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -18.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -218.258790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.258790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.258790 (E_RNA) where: Base-Base interactions energy: -147.907 where: short stacking energy: -64.123 Base-Backbone interact. energy: -0.096 local terms energy: -70.255726 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -12.693 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -19.890 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: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -213.174426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.174426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.174426 (E_RNA) where: Base-Base interactions energy: -143.303 where: short stacking energy: -65.751 Base-Backbone interact. energy: -0.017 local terms energy: -69.854850 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -14.933 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -11.677 tors. eta vs tors. theta energy: -15.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -205.703273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.703273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.703273 (E_RNA) where: Base-Base interactions energy: -142.380 where: short stacking energy: -57.034 Base-Backbone interact. energy: -0.261 local terms energy: -63.062519 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -10.785 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -15.493 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: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -213.708438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.708438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.708438 (E_RNA) where: Base-Base interactions energy: -142.872 where: short stacking energy: -57.066 Base-Backbone interact. energy: -0.354 local terms energy: -70.483172 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -12.562 flat angles C4'-P-C4' energy: -16.704 flat angles P-C4'-P energy: -10.495 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: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -210.434564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.434564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.434564 (E_RNA) where: Base-Base interactions energy: -142.214 where: short stacking energy: -59.291 Base-Backbone interact. energy: -0.633 local terms energy: -67.588039 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -14.944 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -14.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -168.860431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.860431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.860431 (E_RNA) where: Base-Base interactions energy: -106.381 where: short stacking energy: -50.572 Base-Backbone interact. energy: 2.540 local terms energy: -65.019799 where: bonds (distance) C4'-P energy: -12.689 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -13.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -194.329789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.329789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.329789 (E_RNA) where: Base-Base interactions energy: -136.567 where: short stacking energy: -59.090 Base-Backbone interact. energy: -0.121 local terms energy: -57.641059 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -14.096 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: 9, replica: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -75.562782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.562782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.562782 (E_RNA) where: Base-Base interactions energy: -30.334 where: short stacking energy: -32.234 Base-Backbone interact. energy: -0.047 local terms energy: -45.182224 where: bonds (distance) C4'-P energy: -13.029 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -1.127 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -71.972982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.972982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.972982 (E_RNA) where: Base-Base interactions energy: -22.085 where: short stacking energy: -22.085 Base-Backbone interact. energy: 1.307 local terms energy: -51.194053 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -10.963 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -222.130551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.130551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.130551 (E_RNA) where: Base-Base interactions energy: -152.881 where: short stacking energy: -71.419 Base-Backbone interact. energy: -0.037 local terms energy: -69.212697 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -14.270 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -216.671039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.671039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.671039 (E_RNA) where: Base-Base interactions energy: -143.078 where: short stacking energy: -64.310 Base-Backbone interact. energy: -2.265 local terms energy: -71.328668 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -10.213 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -22.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -213.547023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.547023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.547023 (E_RNA) where: Base-Base interactions energy: -149.435 where: short stacking energy: -65.744 Base-Backbone interact. energy: -0.016 local terms energy: -64.096251 where: bonds (distance) C4'-P energy: -7.721 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -18.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -213.209285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.209285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.209285 (E_RNA) where: Base-Base interactions energy: -151.309 where: short stacking energy: -62.106 Base-Backbone interact. energy: -0.306 local terms energy: -61.594150 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -17.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -204.678154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.678154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.678154 (E_RNA) where: Base-Base interactions energy: -135.500 where: short stacking energy: -59.784 Base-Backbone interact. energy: -0.650 local terms energy: -68.528672 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -13.771 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -18.129 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: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -217.294782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.294782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.294782 (E_RNA) where: Base-Base interactions energy: -146.629 where: short stacking energy: -67.089 Base-Backbone interact. energy: -0.092 local terms energy: -70.573863 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -14.538 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -17.960 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: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -196.794867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.794867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.794867 (E_RNA) where: Base-Base interactions energy: -135.869 where: short stacking energy: -54.228 Base-Backbone interact. energy: -1.470 local terms energy: -59.456203 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -15.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -166.475834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.475834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.475834 (E_RNA) where: Base-Base interactions energy: -122.781 where: short stacking energy: -42.793 Base-Backbone interact. energy: -0.151 local terms energy: -43.543557 where: bonds (distance) C4'-P energy: -9.059 bonds (distance) P-C4' energy: -11.686 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -78.531213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.531213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.531213 (E_RNA) where: Base-Base interactions energy: -29.668 where: short stacking energy: -29.668 Base-Backbone interact. energy: 0.314 local terms energy: -49.177411 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -72.381481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.381481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.381481 (E_RNA) where: Base-Base interactions energy: -26.935 where: short stacking energy: -26.935 Base-Backbone interact. energy: -0.258 local terms energy: -45.188725 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -13.344 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -223.560129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.560129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.560129 (E_RNA) where: Base-Base interactions energy: -148.754 where: short stacking energy: -64.769 Base-Backbone interact. energy: -0.153 local terms energy: -74.653349 where: bonds (distance) C4'-P energy: -16.159 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -16.829 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -17.512 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: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -220.262691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.262691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.262691 (E_RNA) where: Base-Base interactions energy: -151.131 where: short stacking energy: -67.203 Base-Backbone interact. energy: -0.207 local terms energy: -68.924584 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -13.662 flat angles P-C4'-P energy: -10.901 tors. eta vs tors. theta energy: -16.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -215.367392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.367392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.367392 (E_RNA) where: Base-Base interactions energy: -143.897 where: short stacking energy: -54.665 Base-Backbone interact. energy: -0.164 local terms energy: -71.306319 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -12.209 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -18.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -215.796680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.796680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.796680 (E_RNA) where: Base-Base interactions energy: -145.904 where: short stacking energy: -66.365 Base-Backbone interact. energy: -0.920 local terms energy: -68.972881 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -12.217 tors. eta vs tors. theta energy: -17.681 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: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -200.019214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.019214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.019214 (E_RNA) where: Base-Base interactions energy: -136.648 where: short stacking energy: -55.592 Base-Backbone interact. energy: -0.366 local terms energy: -63.005231 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -11.753 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: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -186.963117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.963117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.963117 (E_RNA) where: Base-Base interactions energy: -131.014 where: short stacking energy: -53.882 Base-Backbone interact. energy: -0.069 local terms energy: -55.880461 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -9.924 flat angles C4'-P-C4' energy: -14.063 flat angles P-C4'-P energy: -7.285 tors. eta vs tors. theta energy: -12.500 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: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -205.756534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.756534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.756534 (E_RNA) where: Base-Base interactions energy: -137.327 where: short stacking energy: -57.870 Base-Backbone interact. energy: -0.647 local terms energy: -67.783373 where: bonds (distance) C4'-P energy: -11.923 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -15.359 flat angles P-C4'-P energy: -11.674 tors. eta vs tors. theta energy: -14.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -191.430135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.430135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.430135 (E_RNA) where: Base-Base interactions energy: -129.553 where: short stacking energy: -56.016 Base-Backbone interact. energy: -0.024 local terms energy: -61.852793 where: bonds (distance) C4'-P energy: -7.846 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -9.997 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -18.028 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: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -70.907843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.907843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.907843 (E_RNA) where: Base-Base interactions energy: -30.845 where: short stacking energy: -19.820 Base-Backbone interact. energy: 0.179 local terms energy: -40.241473 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: 2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -68.556353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.556353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.556353 (E_RNA) where: Base-Base interactions energy: -18.985 where: short stacking energy: -16.566 Base-Backbone interact. energy: -0.076 local terms energy: -49.495350 where: bonds (distance) C4'-P energy: -15.087 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -1.620 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: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -221.822378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.822378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.822378 (E_RNA) where: Base-Base interactions energy: -147.809 where: short stacking energy: -66.568 Base-Backbone interact. energy: -0.165 local terms energy: -73.848697 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -15.377 flat angles P-C4'-P energy: -11.155 tors. eta vs tors. theta energy: -20.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -224.230876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.230876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.230876 (E_RNA) where: Base-Base interactions energy: -153.177 where: short stacking energy: -70.356 Base-Backbone interact. energy: 0.577 local terms energy: -71.631173 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -20.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -215.235570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.235570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.235570 (E_RNA) where: Base-Base interactions energy: -145.422 where: short stacking energy: -66.523 Base-Backbone interact. energy: -0.123 local terms energy: -69.690692 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -10.172 flat angles C4'-P-C4' energy: -16.428 flat angles P-C4'-P energy: -11.774 tors. eta vs tors. theta energy: -18.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -214.500550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.500550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.500550 (E_RNA) where: Base-Base interactions energy: -145.108 where: short stacking energy: -62.340 Base-Backbone interact. energy: -0.020 local terms energy: -69.372534 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -14.251 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -19.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -209.764132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.764132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.764132 (E_RNA) where: Base-Base interactions energy: -144.171 where: short stacking energy: -66.843 Base-Backbone interact. energy: -0.005 local terms energy: -65.588130 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -16.472 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -17.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -199.271239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.271239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.271239 (E_RNA) where: Base-Base interactions energy: -138.778 where: short stacking energy: -55.757 Base-Backbone interact. energy: -0.019 local terms energy: -60.473592 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -9.809 flat angles P-C4'-P energy: -10.906 tors. eta vs tors. theta energy: -13.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -199.627688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.627688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.627688 (E_RNA) where: Base-Base interactions energy: -133.869 where: short stacking energy: -56.637 Base-Backbone interact. energy: -0.064 local terms energy: -65.693902 where: bonds (distance) C4'-P energy: -10.078 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -11.101 tors. eta vs tors. theta energy: -16.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -197.669332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.669332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.669332 (E_RNA) where: Base-Base interactions energy: -136.516 where: short stacking energy: -59.664 Base-Backbone interact. energy: -0.131 local terms energy: -61.022373 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -11.558 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -15.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -75.357390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.357390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.357390 (E_RNA) where: Base-Base interactions energy: -32.035 where: short stacking energy: -22.519 Base-Backbone interact. energy: -1.150 local terms energy: -42.172473 where: bonds (distance) C4'-P energy: -10.981 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -9.431 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -78.550586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.550586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.550586 (E_RNA) where: Base-Base interactions energy: -32.237 where: short stacking energy: -31.094 Base-Backbone interact. energy: -0.184 local terms energy: -46.129534 where: bonds (distance) C4'-P energy: -11.252 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: 0.860 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: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -222.284329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.284329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.284329 (E_RNA) where: Base-Base interactions energy: -150.218 where: short stacking energy: -69.557 Base-Backbone interact. energy: -0.016 local terms energy: -72.049823 where: bonds (distance) C4'-P energy: -15.753 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -15.080 flat angles P-C4'-P energy: -8.182 tors. eta vs tors. theta energy: -18.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -219.535112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.535112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.535112 (E_RNA) where: Base-Base interactions energy: -147.301 where: short stacking energy: -62.883 Base-Backbone interact. energy: -0.674 local terms energy: -71.560076 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.661 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -19.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -224.660820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.660820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.660820 (E_RNA) where: Base-Base interactions energy: -151.789 where: short stacking energy: -67.404 Base-Backbone interact. energy: -0.007 local terms energy: -72.865405 where: bonds (distance) C4'-P energy: -9.866 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -15.828 flat angles P-C4'-P energy: -12.717 tors. eta vs tors. theta energy: -18.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -209.523544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.523544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.523544 (E_RNA) where: Base-Base interactions energy: -145.128 where: short stacking energy: -57.912 Base-Backbone interact. energy: -0.057 local terms energy: -64.338919 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -8.870 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: 5, replica: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -206.556566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.556566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.556566 (E_RNA) where: Base-Base interactions energy: -143.309 where: short stacking energy: -62.593 Base-Backbone interact. energy: -0.351 local terms energy: -62.896197 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -8.062 tors. eta vs tors. theta energy: -15.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -204.911468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.911468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.911468 (E_RNA) where: Base-Base interactions energy: -144.978 where: short stacking energy: -61.565 Base-Backbone interact. energy: -0.002 local terms energy: -59.931404 where: bonds (distance) C4'-P energy: -9.535 bonds (distance) P-C4' energy: -10.820 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -19.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -194.639786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.639786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.639786 (E_RNA) where: Base-Base interactions energy: -143.217 where: short stacking energy: -59.124 Base-Backbone interact. energy: -1.856 local terms energy: -49.566308 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.129 flat angles C4'-P-C4' energy: -11.432 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -14.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -193.480464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.480464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.480464 (E_RNA) where: Base-Base interactions energy: -133.263 where: short stacking energy: -54.804 Base-Backbone interact. energy: -0.102 local terms energy: -60.115565 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -9.974 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -13.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -79.510124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.510124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.510124 (E_RNA) where: Base-Base interactions energy: -31.944 where: short stacking energy: -31.944 Base-Backbone interact. energy: -0.217 local terms energy: -47.349100 where: bonds (distance) C4'-P energy: -5.466 bonds (distance) P-C4' energy: -14.773 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -74.825368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.825368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.825368 (E_RNA) where: Base-Base interactions energy: -31.274 where: short stacking energy: -26.746 Base-Backbone interact. energy: -0.248 local terms energy: -43.303836 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -13.587 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -214.340172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.340172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.340172 (E_RNA) where: Base-Base interactions energy: -145.553 where: short stacking energy: -62.392 Base-Backbone interact. energy: -1.291 local terms energy: -67.495936 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -15.217 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -15.511 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: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -215.925474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.925474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.925474 (E_RNA) where: Base-Base interactions energy: -145.361 where: short stacking energy: -65.313 Base-Backbone interact. energy: 0.078 local terms energy: -70.642651 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -11.278 flat angles C4'-P-C4' energy: -15.921 flat angles P-C4'-P energy: -11.908 tors. eta vs tors. theta energy: -18.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -217.661402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.661402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.661402 (E_RNA) where: Base-Base interactions energy: -143.155 where: short stacking energy: -60.931 Base-Backbone interact. energy: -0.025 local terms energy: -74.481924 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -15.643 flat angles P-C4'-P energy: -12.484 tors. eta vs tors. theta energy: -18.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -208.857727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.857727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.857727 (E_RNA) where: Base-Base interactions energy: -141.346 where: short stacking energy: -57.276 Base-Backbone interact. energy: -0.586 local terms energy: -66.925777 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -16.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -204.903334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.903334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.903334 (E_RNA) where: Base-Base interactions energy: -138.520 where: short stacking energy: -59.459 Base-Backbone interact. energy: -0.079 local terms energy: -66.303847 where: bonds (distance) C4'-P energy: -10.101 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -9.782 tors. eta vs tors. theta energy: -15.951 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: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -203.346508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.346508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.346508 (E_RNA) where: Base-Base interactions energy: -141.378 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.702 local terms energy: -61.266916 where: bonds (distance) C4'-P energy: -10.724 bonds (distance) P-C4' energy: -8.646 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -9.684 tors. eta vs tors. theta energy: -18.379 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: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -197.624728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.624728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.624728 (E_RNA) where: Base-Base interactions energy: -136.993 where: short stacking energy: -54.903 Base-Backbone interact. energy: -0.059 local terms energy: -60.572764 where: bonds (distance) C4'-P energy: -10.681 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -13.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -188.210342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.210342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.210342 (E_RNA) where: Base-Base interactions energy: -128.253 where: short stacking energy: -54.465 Base-Backbone interact. energy: -0.144 local terms energy: -59.812914 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -13.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -81.836583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.836583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.836583 (E_RNA) where: Base-Base interactions energy: -25.328 where: short stacking energy: -25.328 Base-Backbone interact. energy: -0.022 local terms energy: -56.486303 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -13.178 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -72.578947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.578947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.578947 (E_RNA) where: Base-Base interactions energy: -27.390 where: short stacking energy: -27.104 Base-Backbone interact. energy: -0.174 local terms energy: -45.015205 where: bonds (distance) C4'-P energy: -11.862 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -10.610 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -3.828 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: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -213.194508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.194508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.194508 (E_RNA) where: Base-Base interactions energy: -142.809 where: short stacking energy: -66.170 Base-Backbone interact. energy: -0.037 local terms energy: -70.348179 where: bonds (distance) C4'-P energy: -14.213 bonds (distance) P-C4' energy: -9.601 flat angles C4'-P-C4' energy: -15.822 flat angles P-C4'-P energy: -12.417 tors. eta vs tors. theta energy: -18.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -215.463116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.463116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.463116 (E_RNA) where: Base-Base interactions energy: -144.330 where: short stacking energy: -64.089 Base-Backbone interact. energy: -0.029 local terms energy: -71.104275 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -16.232 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -18.980 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -216.538413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.538413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.538413 (E_RNA) where: Base-Base interactions energy: -146.891 where: short stacking energy: -64.613 Base-Backbone interact. energy: -0.002 local terms energy: -69.644755 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -14.030 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -12.314 tors. eta vs tors. theta energy: -16.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -220.086838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.086838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.086838 (E_RNA) where: Base-Base interactions energy: -147.653 where: short stacking energy: -64.801 Base-Backbone interact. energy: -0.379 local terms energy: -72.054899 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -18.121 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: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -208.716040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.716040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.716040 (E_RNA) where: Base-Base interactions energy: -143.505 where: short stacking energy: -62.380 Base-Backbone interact. energy: -0.027 local terms energy: -65.184048 where: bonds (distance) C4'-P energy: -13.729 bonds (distance) P-C4' energy: -9.775 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -19.548 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: 361 Temperature: 1.150000 Total energy: -210.041576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.041576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.041576 (E_RNA) where: Base-Base interactions energy: -139.288 where: short stacking energy: -62.198 Base-Backbone interact. energy: -0.418 local terms energy: -70.334965 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -18.864 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: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -199.090277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.090277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.090277 (E_RNA) where: Base-Base interactions energy: -139.372 where: short stacking energy: -60.706 Base-Backbone interact. energy: -0.009 local terms energy: -59.708858 where: bonds (distance) C4'-P energy: -9.231 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -17.708 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: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -191.493266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.493266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.493266 (E_RNA) where: Base-Base interactions energy: -134.788 where: short stacking energy: -56.156 Base-Backbone interact. energy: 0.039 local terms energy: -56.744467 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -9.632 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -16.738 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: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -83.648402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.648402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.648402 (E_RNA) where: Base-Base interactions energy: -31.570 where: short stacking energy: -31.570 Base-Backbone interact. energy: -0.183 local terms energy: -51.895481 where: bonds (distance) C4'-P energy: -9.398 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -9.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -75.929942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.929942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.929942 (E_RNA) where: Base-Base interactions energy: -31.993 where: short stacking energy: -29.165 Base-Backbone interact. energy: -0.165 local terms energy: -43.771141 where: bonds (distance) C4'-P energy: -11.451 bonds (distance) P-C4' energy: -8.763 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -217.551402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.551402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.551402 (E_RNA) where: Base-Base interactions energy: -151.088 where: short stacking energy: -67.792 Base-Backbone interact. energy: -0.008 local terms energy: -66.454528 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -20.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -220.342177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.342177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.342177 (E_RNA) where: Base-Base interactions energy: -145.972 where: short stacking energy: -61.883 Base-Backbone interact. energy: -0.239 local terms energy: -74.130638 where: bonds (distance) C4'-P energy: -16.407 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -10.835 tors. eta vs tors. theta energy: -17.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -215.310292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.310292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.310292 (E_RNA) where: Base-Base interactions energy: -145.312 where: short stacking energy: -63.985 Base-Backbone interact. energy: -0.001 local terms energy: -69.997325 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -11.093 flat angles P-C4'-P energy: -11.358 tors. eta vs tors. theta energy: -19.957 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: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -215.583524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.583524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.583524 (E_RNA) where: Base-Base interactions energy: -151.099 where: short stacking energy: -70.358 Base-Backbone interact. energy: -0.060 local terms energy: -64.424310 where: bonds (distance) C4'-P energy: -10.777 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -8.107 tors. eta vs tors. theta energy: -19.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -214.316758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.316758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.316758 (E_RNA) where: Base-Base interactions energy: -149.257 where: short stacking energy: -67.805 Base-Backbone interact. energy: -0.000 local terms energy: -65.058897 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -14.292 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -18.548 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: 362 Temperature: 1.150000 Total energy: -201.295693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.295693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.295693 (E_RNA) where: Base-Base interactions energy: -136.168 where: short stacking energy: -56.363 Base-Backbone interact. energy: -0.065 local terms energy: -65.062234 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -17.168 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: 362 Temperature: 1.200000 Total energy: -199.863610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.863610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.863610 (E_RNA) where: Base-Base interactions energy: -138.774 where: short stacking energy: -58.632 Base-Backbone interact. energy: -0.001 local terms energy: -61.088089 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -15.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -199.216993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.216993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.216993 (E_RNA) where: Base-Base interactions energy: -136.978 where: short stacking energy: -51.394 Base-Backbone interact. energy: -0.010 local terms energy: -62.229322 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -9.168 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: 9, replica: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -77.461516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.461516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.461516 (E_RNA) where: Base-Base interactions energy: -31.233 where: short stacking energy: -31.233 Base-Backbone interact. energy: -0.086 local terms energy: -46.142351 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -10.029 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -3.919 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: 362 Temperature: 1.350000 Total energy: -86.738689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.738689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.738689 (E_RNA) where: Base-Base interactions energy: -32.078 where: short stacking energy: -32.378 Base-Backbone interact. energy: -0.099 local terms energy: -54.560998 where: bonds (distance) C4'-P energy: -11.033 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -11.074 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -8.458 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: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -222.331145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.331145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.331145 (E_RNA) where: Base-Base interactions energy: -149.163 where: short stacking energy: -65.159 Base-Backbone interact. energy: -0.028 local terms energy: -73.139290 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -14.929 flat angles C4'-P-C4' energy: -16.062 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -18.173 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: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -219.434359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.434359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.434359 (E_RNA) where: Base-Base interactions energy: -146.420 where: short stacking energy: -65.692 Base-Backbone interact. energy: 1.171 local terms energy: -74.186024 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -16.711 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -218.541112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.541112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.541112 (E_RNA) where: Base-Base interactions energy: -145.989 where: short stacking energy: -64.560 Base-Backbone interact. energy: -0.016 local terms energy: -72.535373 where: bonds (distance) C4'-P energy: -15.008 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -20.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -215.344418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.344418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.344418 (E_RNA) where: Base-Base interactions energy: -152.378 where: short stacking energy: -64.819 Base-Backbone interact. energy: -0.007 local terms energy: -62.959115 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -18.022 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: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -213.605536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.605536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.605536 (E_RNA) where: Base-Base interactions energy: -152.194 where: short stacking energy: -68.383 Base-Backbone interact. energy: -0.302 local terms energy: -61.109476 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -8.738 tors. eta vs tors. theta energy: -18.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -206.170670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.170670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.170670 (E_RNA) where: Base-Base interactions energy: -135.920 where: short stacking energy: -64.882 Base-Backbone interact. energy: -0.026 local terms energy: -70.224911 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -7.140 tors. eta vs tors. theta energy: -19.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -205.090734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.090734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.090734 (E_RNA) where: Base-Base interactions energy: -144.759 where: short stacking energy: -66.014 Base-Backbone interact. energy: -0.095 local terms energy: -60.237133 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -10.340 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -16.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -154.279161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.279161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.279161 (E_RNA) where: Base-Base interactions energy: -100.540 where: short stacking energy: -40.712 Base-Backbone interact. energy: -0.181 local terms energy: -53.558108 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -10.253 flat angles C4'-P-C4' energy: -10.098 flat angles P-C4'-P energy: -9.028 tors. eta vs tors. theta energy: -11.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -71.749298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.749298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.749298 (E_RNA) where: Base-Base interactions energy: -25.309 where: short stacking energy: -20.330 Base-Backbone interact. energy: -0.118 local terms energy: -46.322275 where: bonds (distance) C4'-P energy: -13.285 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -11.452 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -80.509077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.509077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.509077 (E_RNA) where: Base-Base interactions energy: -28.846 where: short stacking energy: -28.846 Base-Backbone interact. energy: -0.076 local terms energy: -51.586655 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -222.799834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.799834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.799834 (E_RNA) where: Base-Base interactions energy: -150.938 where: short stacking energy: -66.495 Base-Backbone interact. energy: -0.054 local terms energy: -71.808156 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -12.727 flat angles C4'-P-C4' energy: -15.268 flat angles P-C4'-P energy: -12.378 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: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -227.892833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.892833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.892833 (E_RNA) where: Base-Base interactions energy: -155.318 where: short stacking energy: -68.929 Base-Backbone interact. energy: -0.298 local terms energy: -72.277028 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -13.106 tors. eta vs tors. theta energy: -19.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -213.318211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.318211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.318211 (E_RNA) where: Base-Base interactions energy: -143.888 where: short stacking energy: -62.748 Base-Backbone interact. energy: -0.576 local terms energy: -68.854702 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -14.340 flat angles C4'-P-C4' energy: -11.270 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -19.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -214.366001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.366001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.366001 (E_RNA) where: Base-Base interactions energy: -145.535 where: short stacking energy: -62.246 Base-Backbone interact. energy: -0.030 local terms energy: -68.801289 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -17.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -209.573001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.573001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.573001 (E_RNA) where: Base-Base interactions energy: -150.756 where: short stacking energy: -60.101 Base-Backbone interact. energy: -0.963 local terms energy: -57.854401 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -7.930 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -15.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -207.583877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.583877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.583877 (E_RNA) where: Base-Base interactions energy: -136.906 where: short stacking energy: -61.190 Base-Backbone interact. energy: -1.087 local terms energy: -69.590678 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -15.828 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -17.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -157.276385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.276385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.276385 (E_RNA) where: Base-Base interactions energy: -102.660 where: short stacking energy: -51.792 Base-Backbone interact. energy: -0.024 local terms energy: -54.592375 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -15.611 flat angles C4'-P-C4' energy: -11.403 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -11.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -194.324660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.324660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.324660 (E_RNA) where: Base-Base interactions energy: -128.940 where: short stacking energy: -52.896 Base-Backbone interact. energy: -0.885 local terms energy: -64.499951 where: bonds (distance) C4'-P energy: -9.806 bonds (distance) P-C4' energy: -15.385 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -15.116 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: 364 Temperature: 1.300000 Total energy: -70.175294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.175294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.175294 (E_RNA) where: Base-Base interactions energy: -27.136 where: short stacking energy: -26.931 Base-Backbone interact. energy: -0.448 local terms energy: -42.591845 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -7.565 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -87.283604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.283604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.283604 (E_RNA) where: Base-Base interactions energy: -38.563 where: short stacking energy: -29.282 Base-Backbone interact. energy: -0.384 local terms energy: -48.336995 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -13.993 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -229.455457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.455457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.455457 (E_RNA) where: Base-Base interactions energy: -153.374 where: short stacking energy: -65.945 Base-Backbone interact. energy: -0.529 local terms energy: -75.551892 where: bonds (distance) C4'-P energy: -15.289 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -15.921 flat angles P-C4'-P energy: -11.953 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -226.153641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.153641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.153641 (E_RNA) where: Base-Base interactions energy: -156.568 where: short stacking energy: -72.283 Base-Backbone interact. energy: -0.155 local terms energy: -69.430440 where: bonds (distance) C4'-P energy: -9.016 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -11.065 tors. eta vs tors. theta energy: -19.504 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: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -214.391056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.391056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.391056 (E_RNA) where: Base-Base interactions energy: -143.072 where: short stacking energy: -57.743 Base-Backbone interact. energy: -1.155 local terms energy: -70.163555 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -11.887 tors. eta vs tors. theta energy: -17.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -207.978618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.978618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.978618 (E_RNA) where: Base-Base interactions energy: -141.366 where: short stacking energy: -66.338 Base-Backbone interact. energy: -0.001 local terms energy: -66.611246 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -11.640 tors. eta vs tors. theta energy: -18.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -203.209088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.209088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.209088 (E_RNA) where: Base-Base interactions energy: -140.660 where: short stacking energy: -54.650 Base-Backbone interact. energy: -0.003 local terms energy: -62.545808 where: bonds (distance) C4'-P energy: -8.047 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -16.095 flat angles P-C4'-P energy: -11.218 tors. eta vs tors. theta energy: -15.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -204.852161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.852161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.852161 (E_RNA) where: Base-Base interactions energy: -136.330 where: short stacking energy: -61.935 Base-Backbone interact. energy: -1.043 local terms energy: -67.479643 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -15.058 flat angles P-C4'-P energy: -10.287 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: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -186.321925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.321925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.321925 (E_RNA) where: Base-Base interactions energy: -129.487 where: short stacking energy: -59.813 Base-Backbone interact. energy: -0.181 local terms energy: -56.654344 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -12.132 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -17.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -204.726098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.726098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.726098 (E_RNA) where: Base-Base interactions energy: -137.433 where: short stacking energy: -61.778 Base-Backbone interact. energy: -0.021 local terms energy: -67.272138 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -16.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -69.273436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.273436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.273436 (E_RNA) where: Base-Base interactions energy: -24.804 where: short stacking energy: -12.953 Base-Backbone interact. energy: -0.190 local terms energy: -44.278855 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -10.631 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: 1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -69.573437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.573437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.573437 (E_RNA) where: Base-Base interactions energy: -29.607 where: short stacking energy: -27.902 Base-Backbone interact. energy: -0.092 local terms energy: -39.874932 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -9.770 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -223.238189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.238189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.238189 (E_RNA) where: Base-Base interactions energy: -149.913 where: short stacking energy: -66.292 Base-Backbone interact. energy: -0.575 local terms energy: -72.750655 where: bonds (distance) C4'-P energy: -12.391 bonds (distance) P-C4' energy: -16.658 flat angles C4'-P-C4' energy: -14.611 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -21.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -216.899796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.899796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.899796 (E_RNA) where: Base-Base interactions energy: -143.123 where: short stacking energy: -66.125 Base-Backbone interact. energy: -0.016 local terms energy: -73.760758 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -13.649 tors. eta vs tors. theta energy: -18.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -216.811352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.811352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.811352 (E_RNA) where: Base-Base interactions energy: -148.023 where: short stacking energy: -63.578 Base-Backbone interact. energy: -0.002 local terms energy: -68.785403 where: bonds (distance) C4'-P energy: -15.401 bonds (distance) P-C4' energy: -11.393 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -19.002 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: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -212.340802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.340802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.340802 (E_RNA) where: Base-Base interactions energy: -143.425 where: short stacking energy: -65.260 Base-Backbone interact. energy: -0.018 local terms energy: -68.897506 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -10.701 tors. eta vs tors. theta energy: -19.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -208.026110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.026110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.026110 (E_RNA) where: Base-Base interactions energy: -140.061 where: short stacking energy: -59.262 Base-Backbone interact. energy: -0.057 local terms energy: -67.908365 where: bonds (distance) C4'-P energy: -10.760 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -12.249 tors. eta vs tors. theta energy: -14.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -203.467121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.467121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.467121 (E_RNA) where: Base-Base interactions energy: -138.388 where: short stacking energy: -54.525 Base-Backbone interact. energy: -0.121 local terms energy: -64.957945 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -10.624 flat angles P-C4'-P energy: -10.578 tors. eta vs tors. theta energy: -16.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -203.626573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.626573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.626573 (E_RNA) where: Base-Base interactions energy: -143.381 where: short stacking energy: -61.978 Base-Backbone interact. energy: -0.004 local terms energy: -60.242051 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -4.694 flat angles C4'-P-C4' energy: -14.797 flat angles P-C4'-P energy: -10.473 tors. eta vs tors. theta energy: -17.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -192.317292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.317292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.317292 (E_RNA) where: Base-Base interactions energy: -132.201 where: short stacking energy: -55.410 Base-Backbone interact. energy: -0.042 local terms energy: -60.074336 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -12.505 flat angles C4'-P-C4' energy: -11.392 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -15.688 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: 9, replica: 4 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -78.146596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.146596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.146596 (E_RNA) where: Base-Base interactions energy: -28.820 where: short stacking energy: -28.820 Base-Backbone interact. energy: 0.248 local terms energy: -49.574454 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -7.915 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -73.551033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.551033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.551033 (E_RNA) where: Base-Base interactions energy: -28.224 where: short stacking energy: -24.963 Base-Backbone interact. energy: 0.103 local terms energy: -45.430113 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -221.421638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.421638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.421638 (E_RNA) where: Base-Base interactions energy: -148.545 where: short stacking energy: -66.056 Base-Backbone interact. energy: -0.009 local terms energy: -72.868150 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -13.102 tors. eta vs tors. theta energy: -17.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -212.055741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.055741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.055741 (E_RNA) where: Base-Base interactions energy: -143.855 where: short stacking energy: -62.033 Base-Backbone interact. energy: -0.005 local terms energy: -68.195599 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -12.678 flat angles C4'-P-C4' energy: -14.889 flat angles P-C4'-P energy: -8.985 tors. eta vs tors. theta energy: -18.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -215.247600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.247600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.247600 (E_RNA) where: Base-Base interactions energy: -144.289 where: short stacking energy: -66.696 Base-Backbone interact. energy: -0.125 local terms energy: -70.833925 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -18.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -209.195765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.195765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.195765 (E_RNA) where: Base-Base interactions energy: -141.470 where: short stacking energy: -62.330 Base-Backbone interact. energy: -0.412 local terms energy: -67.314150 where: bonds (distance) C4'-P energy: -11.494 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -16.305 flat angles P-C4'-P energy: -6.795 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: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -208.907983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.907983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.907983 (E_RNA) where: Base-Base interactions energy: -139.455 where: short stacking energy: -62.232 Base-Backbone interact. energy: -0.172 local terms energy: -69.280650 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -19.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -206.169702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.169702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.169702 (E_RNA) where: Base-Base interactions energy: -138.360 where: short stacking energy: -60.603 Base-Backbone interact. energy: -0.016 local terms energy: -67.793970 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -15.058 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -16.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -201.752104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.752104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.752104 (E_RNA) where: Base-Base interactions energy: -132.911 where: short stacking energy: -57.841 Base-Backbone interact. energy: -0.003 local terms energy: -68.838195 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -12.632 tors. eta vs tors. theta energy: -17.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -188.551217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.551217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.551217 (E_RNA) where: Base-Base interactions energy: -127.656 where: short stacking energy: -51.775 Base-Backbone interact. energy: -0.006 local terms energy: -60.888849 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -15.034 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -8.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -85.721353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.721353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.721353 (E_RNA) where: Base-Base interactions energy: -34.437 where: short stacking energy: -34.437 Base-Backbone interact. energy: 1.199 local terms energy: -52.482461 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -11.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -79.409824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.409824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.409824 (E_RNA) where: Base-Base interactions energy: -34.977 where: short stacking energy: -25.307 Base-Backbone interact. energy: -0.093 local terms energy: -44.339699 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -7.792 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -218.646891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.646891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.646891 (E_RNA) where: Base-Base interactions energy: -147.093 where: short stacking energy: -62.515 Base-Backbone interact. energy: -0.110 local terms energy: -71.443733 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -17.438 flat angles P-C4'-P energy: -11.969 tors. eta vs tors. theta energy: -15.403 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: 368 Temperature: 0.950000 Total energy: -221.613757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.613757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.613757 (E_RNA) where: Base-Base interactions energy: -150.609 where: short stacking energy: -67.161 Base-Backbone interact. energy: -0.001 local terms energy: -71.004485 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -20.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -204.042454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.042454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.042454 (E_RNA) where: Base-Base interactions energy: -138.505 where: short stacking energy: -58.243 Base-Backbone interact. energy: -0.011 local terms energy: -65.526908 where: bonds (distance) C4'-P energy: -12.543 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -16.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -210.058701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.058701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.058701 (E_RNA) where: Base-Base interactions energy: -148.849 where: short stacking energy: -65.811 Base-Backbone interact. energy: -0.190 local terms energy: -61.019706 where: bonds (distance) C4'-P energy: -9.465 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -16.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -206.431893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.431893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.431893 (E_RNA) where: Base-Base interactions energy: -137.694 where: short stacking energy: -64.161 Base-Backbone interact. energy: -0.002 local terms energy: -68.735824 where: bonds (distance) C4'-P energy: -11.979 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -15.007 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -18.128 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: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -201.334670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.334670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.334670 (E_RNA) where: Base-Base interactions energy: -137.689 where: short stacking energy: -57.079 Base-Backbone interact. energy: -0.000 local terms energy: -63.645075 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -1.643 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: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -201.515878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.515878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.515878 (E_RNA) where: Base-Base interactions energy: -141.650 where: short stacking energy: -62.716 Base-Backbone interact. energy: -0.005 local terms energy: -59.861393 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -14.104 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -18.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -188.451730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.451730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.451730 (E_RNA) where: Base-Base interactions energy: -124.540 where: short stacking energy: -46.902 Base-Backbone interact. energy: -0.001 local terms energy: -63.910214 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -10.673 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -16.326 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: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -72.948700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.948700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.948700 (E_RNA) where: Base-Base interactions energy: -32.758 where: short stacking energy: -28.696 Base-Backbone interact. energy: -0.141 local terms energy: -40.050318 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -9.051 flat angles C4'-P-C4' energy: -10.585 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -1.152 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: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -75.659230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.659230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.659230 (E_RNA) where: Base-Base interactions energy: -35.950 where: short stacking energy: -28.534 Base-Backbone interact. energy: 0.586 local terms energy: -40.295618 where: bonds (distance) C4'-P energy: -5.189 bonds (distance) P-C4' energy: -17.050 flat angles C4'-P-C4' energy: -8.986 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -1.894 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: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -218.583966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.583966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.583966 (E_RNA) where: Base-Base interactions energy: -151.117 where: short stacking energy: -62.879 Base-Backbone interact. energy: -0.277 local terms energy: -67.189943 where: bonds (distance) C4'-P energy: -14.610 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -11.027 flat angles P-C4'-P energy: -13.238 tors. eta vs tors. theta energy: -15.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -217.790305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.790305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.790305 (E_RNA) where: Base-Base interactions energy: -156.183 where: short stacking energy: -66.677 Base-Backbone interact. energy: -0.417 local terms energy: -61.190503 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -12.193 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -16.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -210.444019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.444019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.444019 (E_RNA) where: Base-Base interactions energy: -144.344 where: short stacking energy: -58.824 Base-Backbone interact. energy: -0.020 local terms energy: -66.080041 where: bonds (distance) C4'-P energy: -14.068 bonds (distance) P-C4' energy: -14.348 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -14.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -204.004075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.004075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.004075 (E_RNA) where: Base-Base interactions energy: -135.452 where: short stacking energy: -60.009 Base-Backbone interact. energy: -0.133 local terms energy: -68.418994 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -16.422 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -13.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -205.306171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.306171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.306171 (E_RNA) where: Base-Base interactions energy: -137.919 where: short stacking energy: -56.152 Base-Backbone interact. energy: -0.242 local terms energy: -67.145647 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -15.781 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -15.457 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: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -207.687647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.687647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.687647 (E_RNA) where: Base-Base interactions energy: -142.055 where: short stacking energy: -63.728 Base-Backbone interact. energy: -0.027 local terms energy: -65.605930 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -196.253536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.253536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.253536 (E_RNA) where: Base-Base interactions energy: -135.017 where: short stacking energy: -55.294 Base-Backbone interact. energy: -0.626 local terms energy: -60.610650 where: bonds (distance) C4'-P energy: -9.151 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -11.148 tors. eta vs tors. theta energy: -14.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -201.837947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.837947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.837947 (E_RNA) where: Base-Base interactions energy: -134.796 where: short stacking energy: -60.280 Base-Backbone interact. energy: -0.352 local terms energy: -66.689969 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -15.281 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: -15.330 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: 369 Temperature: 1.300000 Total energy: -78.337632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.337632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.337632 (E_RNA) where: Base-Base interactions energy: -31.782 where: short stacking energy: -31.782 Base-Backbone interact. energy: -0.049 local terms energy: -46.506768 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -6.120 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: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -67.571566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.571566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.571566 (E_RNA) where: Base-Base interactions energy: -19.981 where: short stacking energy: -19.981 Base-Backbone interact. energy: -0.191 local terms energy: -47.398693 where: bonds (distance) C4'-P energy: -10.325 bonds (distance) P-C4' energy: -11.782 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -5.570 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: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -222.165597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.165597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.165597 (E_RNA) where: Base-Base interactions energy: -151.327 where: short stacking energy: -66.337 Base-Backbone interact. energy: -0.002 local terms energy: -70.837174 where: bonds (distance) C4'-P energy: -13.452 bonds (distance) P-C4' energy: -13.089 flat angles C4'-P-C4' energy: -16.402 flat angles P-C4'-P energy: -12.420 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: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -216.717820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.717820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.717820 (E_RNA) where: Base-Base interactions energy: -142.115 where: short stacking energy: -55.854 Base-Backbone interact. energy: -1.358 local terms energy: -73.245012 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -16.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -219.396157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.396157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.396157 (E_RNA) where: Base-Base interactions energy: -148.447 where: short stacking energy: -64.903 Base-Backbone interact. energy: -0.365 local terms energy: -70.584505 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -13.161 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -18.984 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: 370 Temperature: 1.050000 Total energy: -208.711648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.711648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.711648 (E_RNA) where: Base-Base interactions energy: -138.761 where: short stacking energy: -59.296 Base-Backbone interact. energy: -0.029 local terms energy: -69.921563 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -18.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -208.979681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.979681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.979681 (E_RNA) where: Base-Base interactions energy: -145.751 where: short stacking energy: -68.547 Base-Backbone interact. energy: -0.307 local terms energy: -62.921217 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -8.415 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -18.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -200.346186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.346186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.346186 (E_RNA) where: Base-Base interactions energy: -137.475 where: short stacking energy: -63.054 Base-Backbone interact. energy: -0.069 local terms energy: -62.802667 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -10.509 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -19.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -203.452027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.452027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.452027 (E_RNA) where: Base-Base interactions energy: -141.535 where: short stacking energy: -61.357 Base-Backbone interact. energy: -0.019 local terms energy: -61.898284 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -14.166 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -15.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -191.566427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.566427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.566427 (E_RNA) where: Base-Base interactions energy: -129.221 where: short stacking energy: -50.715 Base-Backbone interact. energy: -0.002 local terms energy: -62.343557 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -12.013 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -16.414 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: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -86.773994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.773994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.773994 (E_RNA) where: Base-Base interactions energy: -49.746 where: short stacking energy: -34.655 Base-Backbone interact. energy: -0.084 local terms energy: -36.943389 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -76.433724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.433724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.433724 (E_RNA) where: Base-Base interactions energy: -30.348 where: short stacking energy: -30.348 Base-Backbone interact. energy: -0.323 local terms energy: -45.762102 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -221.226311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.226311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.226311 (E_RNA) where: Base-Base interactions energy: -151.105 where: short stacking energy: -67.449 Base-Backbone interact. energy: -0.637 local terms energy: -69.484505 where: bonds (distance) C4'-P energy: -13.136 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -13.929 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -19.312 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: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -218.389054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.389054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.389054 (E_RNA) where: Base-Base interactions energy: -148.512 where: short stacking energy: -64.355 Base-Backbone interact. energy: -0.036 local terms energy: -69.841570 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -10.517 tors. eta vs tors. theta energy: -17.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -213.548471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.548471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.548471 (E_RNA) where: Base-Base interactions energy: -147.883 where: short stacking energy: -65.318 Base-Backbone interact. energy: -0.120 local terms energy: -65.545802 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -16.326 flat angles P-C4'-P energy: -8.928 tors. eta vs tors. theta energy: -17.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -211.899352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.899352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.899352 (E_RNA) where: Base-Base interactions energy: -138.952 where: short stacking energy: -61.078 Base-Backbone interact. energy: -0.102 local terms energy: -72.844858 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -18.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -207.594967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.594967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.594967 (E_RNA) where: Base-Base interactions energy: -137.427 where: short stacking energy: -59.289 Base-Backbone interact. energy: -0.032 local terms energy: -70.136315 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -11.254 flat angles C4'-P-C4' energy: -15.273 flat angles P-C4'-P energy: -11.343 tors. eta vs tors. theta energy: -18.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -197.186035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.186035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.186035 (E_RNA) where: Base-Base interactions energy: -138.405 where: short stacking energy: -54.130 Base-Backbone interact. energy: -0.212 local terms energy: -58.568879 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -8.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -210.229823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.229823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.229823 (E_RNA) where: Base-Base interactions energy: -147.066 where: short stacking energy: -63.841 Base-Backbone interact. energy: -0.054 local terms energy: -63.109614 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -8.270 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -18.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -177.429013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.429013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.429013 (E_RNA) where: Base-Base interactions energy: -116.280 where: short stacking energy: -51.988 Base-Backbone interact. energy: -0.008 local terms energy: -61.140994 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -13.961 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: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -76.172025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.172025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.172025 (E_RNA) where: Base-Base interactions energy: -27.615 where: short stacking energy: -24.328 Base-Backbone interact. energy: -0.542 local terms energy: -48.015229 where: bonds (distance) C4'-P energy: -11.153 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -11.093 flat angles P-C4'-P energy: -7.656 tors. eta vs tors. theta energy: -2.832 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: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -69.874805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.874805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.874805 (E_RNA) where: Base-Base interactions energy: -22.452 where: short stacking energy: -22.452 Base-Backbone interact. energy: -0.165 local terms energy: -47.257859 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: 4.620 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: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -223.122010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.122010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.122010 (E_RNA) where: Base-Base interactions energy: -151.628 where: short stacking energy: -63.904 Base-Backbone interact. energy: -0.099 local terms energy: -71.395792 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: -20.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -220.578471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.578471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.578471 (E_RNA) where: Base-Base interactions energy: -152.679 where: short stacking energy: -63.730 Base-Backbone interact. energy: 1.680 local terms energy: -69.579023 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -15.356 flat angles P-C4'-P energy: -10.984 tors. eta vs tors. theta energy: -15.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -215.925343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.925343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.925343 (E_RNA) where: Base-Base interactions energy: -148.583 where: short stacking energy: -67.842 Base-Backbone interact. energy: -0.039 local terms energy: -67.303125 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -18.499 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: 372 Temperature: 1.050000 Total energy: -217.359550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.359550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.359550 (E_RNA) where: Base-Base interactions energy: -146.977 where: short stacking energy: -68.047 Base-Backbone interact. energy: -0.030 local terms energy: -70.352955 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -15.678 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -19.930 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: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -205.054518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.054518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.054518 (E_RNA) where: Base-Base interactions energy: -149.549 where: short stacking energy: -59.068 Base-Backbone interact. energy: 0.885 local terms energy: -56.390614 where: bonds (distance) C4'-P energy: -11.080 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -11.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -206.952579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.952579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.952579 (E_RNA) where: Base-Base interactions energy: -141.682 where: short stacking energy: -60.908 Base-Backbone interact. energy: -0.729 local terms energy: -64.541297 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -12.099 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -17.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -195.323631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.323631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.323631 (E_RNA) where: Base-Base interactions energy: -139.389 where: short stacking energy: -59.463 Base-Backbone interact. energy: -0.045 local terms energy: -55.888923 where: bonds (distance) C4'-P energy: -10.341 bonds (distance) P-C4' energy: -8.099 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -7.312 tors. eta vs tors. theta energy: -17.993 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: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -158.913388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.913388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.913388 (E_RNA) where: Base-Base interactions energy: -99.174 where: short stacking energy: -39.844 Base-Backbone interact. energy: -0.807 local terms energy: -58.932491 where: bonds (distance) C4'-P energy: -8.621 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -13.024 tors. eta vs tors. theta energy: -11.321 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: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -114.257432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.257432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.257432 (E_RNA) where: Base-Base interactions energy: -66.438 where: short stacking energy: -36.746 Base-Backbone interact. energy: -1.046 local terms energy: -46.773086 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -10.376 flat angles P-C4'-P energy: -8.878 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -74.833068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.833068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.833068 (E_RNA) where: Base-Base interactions energy: -28.975 where: short stacking energy: -28.348 Base-Backbone interact. energy: -0.047 local terms energy: -45.811734 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -14.133 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -9.470 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: 373 Temperature: 0.900000 Total energy: -222.716059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.716059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.716059 (E_RNA) where: Base-Base interactions energy: -148.691 where: short stacking energy: -67.236 Base-Backbone interact. energy: -1.119 local terms energy: -72.905924 where: bonds (distance) C4'-P energy: -10.499 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -21.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -227.038260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.038260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.038260 (E_RNA) where: Base-Base interactions energy: -151.760 where: short stacking energy: -67.109 Base-Backbone interact. energy: -0.008 local terms energy: -75.270102 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -15.832 flat angles P-C4'-P energy: -13.724 tors. eta vs tors. theta energy: -18.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -210.548202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.548202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.548202 (E_RNA) where: Base-Base interactions energy: -149.399 where: short stacking energy: -61.866 Base-Backbone interact. energy: -0.064 local terms energy: -61.085067 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -7.816 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -11.824 tors. eta vs tors. theta energy: -13.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -203.541254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.541254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.541254 (E_RNA) where: Base-Base interactions energy: -143.881 where: short stacking energy: -61.416 Base-Backbone interact. energy: -0.665 local terms energy: -58.995224 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -11.357 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -14.035 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: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -209.554872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.554872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.554872 (E_RNA) where: Base-Base interactions energy: -142.664 where: short stacking energy: -62.785 Base-Backbone interact. energy: -0.001 local terms energy: -66.889417 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -18.107 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: 373 Temperature: 1.150000 Total energy: -191.170702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.170702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.170702 (E_RNA) where: Base-Base interactions energy: -131.963 where: short stacking energy: -54.029 Base-Backbone interact. energy: -0.167 local terms energy: -59.039881 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -10.095 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -11.872 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: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -202.575061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.575061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.575061 (E_RNA) where: Base-Base interactions energy: -139.540 where: short stacking energy: -60.390 Base-Backbone interact. energy: -0.103 local terms energy: -62.932117 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -9.546 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -20.043 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: 373 Temperature: 1.250000 Total energy: -182.404399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.404399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.404399 (E_RNA) where: Base-Base interactions energy: -127.942 where: short stacking energy: -55.558 Base-Backbone interact. energy: -0.242 local terms energy: -54.220974 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: 0.153 tors. eta vs tors. theta energy: -13.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -112.508609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.508609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.508609 (E_RNA) where: Base-Base interactions energy: -67.449 where: short stacking energy: -39.182 Base-Backbone interact. energy: 1.052 local terms energy: -46.111000 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -10.697 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: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -73.675521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.675521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.675521 (E_RNA) where: Base-Base interactions energy: -36.318 where: short stacking energy: -32.891 Base-Backbone interact. energy: -1.231 local terms energy: -36.127141 where: bonds (distance) C4'-P energy: -10.362 bonds (distance) P-C4' energy: -6.972 flat angles C4'-P-C4' energy: -9.578 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -2.943 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: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -215.103419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.103419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.103419 (E_RNA) where: Base-Base interactions energy: -152.569 where: short stacking energy: -62.000 Base-Backbone interact. energy: -0.437 local terms energy: -62.097901 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -17.325 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: 2, replica: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -218.074880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.074880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.074880 (E_RNA) where: Base-Base interactions energy: -147.391 where: short stacking energy: -65.096 Base-Backbone interact. energy: -0.028 local terms energy: -70.655062 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -12.394 tors. eta vs tors. theta energy: -20.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -208.669143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.669143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.669143 (E_RNA) where: Base-Base interactions energy: -144.970 where: short stacking energy: -53.962 Base-Backbone interact. energy: -0.224 local terms energy: -63.474751 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -14.166 flat angles P-C4'-P energy: -10.879 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: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -217.984184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.984184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.984184 (E_RNA) where: Base-Base interactions energy: -145.402 where: short stacking energy: -63.160 Base-Backbone interact. energy: -0.015 local terms energy: -72.567616 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -10.115 tors. eta vs tors. theta energy: -18.830 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: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -204.538796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.538796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.538796 (E_RNA) where: Base-Base interactions energy: -142.025 where: short stacking energy: -60.860 Base-Backbone interact. energy: -0.146 local terms energy: -62.368610 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -199.178083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.178083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.178083 (E_RNA) where: Base-Base interactions energy: -143.317 where: short stacking energy: -60.341 Base-Backbone interact. energy: -0.088 local terms energy: -55.772937 where: bonds (distance) C4'-P energy: -10.218 bonds (distance) P-C4' energy: -8.288 flat angles C4'-P-C4' energy: -11.059 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -207.373648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.373648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.373648 (E_RNA) where: Base-Base interactions energy: -139.969 where: short stacking energy: -61.324 Base-Backbone interact. energy: -0.003 local terms energy: -67.401261 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -18.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -203.356026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.356026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.356026 (E_RNA) where: Base-Base interactions energy: -140.718 where: short stacking energy: -54.185 Base-Backbone interact. energy: -0.180 local terms energy: -62.458143 where: bonds (distance) C4'-P energy: -11.239 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -11.000 tors. eta vs tors. theta energy: -11.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -72.182318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.182318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.182318 (E_RNA) where: Base-Base interactions energy: -28.717 where: short stacking energy: -28.717 Base-Backbone interact. energy: 0.929 local terms energy: -44.394394 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -5.815 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: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -72.688552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.688552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.688552 (E_RNA) where: Base-Base interactions energy: -25.404 where: short stacking energy: -25.404 Base-Backbone interact. energy: -0.123 local terms energy: -47.161669 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -222.299590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.299590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.299590 (E_RNA) where: Base-Base interactions energy: -149.995 where: short stacking energy: -64.660 Base-Backbone interact. energy: -1.055 local terms energy: -71.249555 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -14.210 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -19.343 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: 2, replica: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -215.270630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.270630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.270630 (E_RNA) where: Base-Base interactions energy: -153.272 where: short stacking energy: -64.898 Base-Backbone interact. energy: -0.428 local terms energy: -61.570064 where: bonds (distance) C4'-P energy: -10.165 bonds (distance) P-C4' energy: -14.743 flat angles C4'-P-C4' energy: -11.250 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -15.414 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: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -215.556431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.556431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.556431 (E_RNA) where: Base-Base interactions energy: -140.885 where: short stacking energy: -57.343 Base-Backbone interact. energy: -0.581 local terms energy: -74.090778 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -13.084 flat angles P-C4'-P energy: -12.653 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: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -213.726455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.726455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.726455 (E_RNA) where: Base-Base interactions energy: -142.978 where: short stacking energy: -63.024 Base-Backbone interact. energy: -0.882 local terms energy: -69.866133 where: bonds (distance) C4'-P energy: -9.998 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -20.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -209.468100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.468100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.468100 (E_RNA) where: Base-Base interactions energy: -145.865 where: short stacking energy: -68.196 Base-Backbone interact. energy: -0.001 local terms energy: -63.602278 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -10.731 flat angles C4'-P-C4' energy: -10.064 flat angles P-C4'-P energy: -11.279 tors. eta vs tors. theta energy: -17.954 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: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -202.910933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.910933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.910933 (E_RNA) where: Base-Base interactions energy: -136.019 where: short stacking energy: -59.404 Base-Backbone interact. energy: -0.127 local terms energy: -66.765086 where: bonds (distance) C4'-P energy: -10.358 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -9.395 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: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -203.319725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.319725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.319725 (E_RNA) where: Base-Base interactions energy: -141.905 where: short stacking energy: -59.699 Base-Backbone interact. energy: -0.016 local terms energy: -61.398670 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -16.061 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -18.737 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: 375 Temperature: 1.250000 Total energy: -76.291975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.291975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.291975 (E_RNA) where: Base-Base interactions energy: -34.666 where: short stacking energy: -34.666 Base-Backbone interact. energy: -0.122 local terms energy: -41.503694 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -9.322 flat angles P-C4'-P energy: -8.171 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -189.356433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.356433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.356433 (E_RNA) where: Base-Base interactions energy: -138.079 where: short stacking energy: -60.449 Base-Backbone interact. energy: -0.094 local terms energy: -51.183629 where: bonds (distance) C4'-P energy: -3.744 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -12.035 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -17.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -102.901782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.901782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.901782 (E_RNA) where: Base-Base interactions energy: -56.932 where: short stacking energy: -25.884 Base-Backbone interact. energy: 0.090 local terms energy: -46.059803 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -10.071 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -6.509 tors. eta vs tors. theta energy: -6.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -224.654247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.654247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.654247 (E_RNA) where: Base-Base interactions energy: -150.213 where: short stacking energy: -65.184 Base-Backbone interact. energy: -1.588 local terms energy: -72.853329 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -15.321 flat angles P-C4'-P energy: -12.257 tors. eta vs tors. theta energy: -16.081 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: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -213.119076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.119076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.119076 (E_RNA) where: Base-Base interactions energy: -147.056 where: short stacking energy: -56.022 Base-Backbone interact. energy: -0.177 local terms energy: -65.886010 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -11.925 tors. eta vs tors. theta energy: -14.523 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: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -217.046663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.046663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.046663 (E_RNA) where: Base-Base interactions energy: -141.194 where: short stacking energy: -63.792 Base-Backbone interact. energy: -0.000 local terms energy: -75.852290 where: bonds (distance) C4'-P energy: -15.579 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -12.881 tors. eta vs tors. theta energy: -18.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -212.469944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.469944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.469944 (E_RNA) where: Base-Base interactions energy: -144.720 where: short stacking energy: -66.380 Base-Backbone interact. energy: -0.194 local terms energy: -67.555480 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -10.809 flat angles C4'-P-C4' energy: -16.042 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -18.667 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: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -212.540826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.540826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.540826 (E_RNA) where: Base-Base interactions energy: -143.561 where: short stacking energy: -58.786 Base-Backbone interact. energy: -0.284 local terms energy: -68.695203 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -15.836 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -16.723 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: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -205.075248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.075248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.075248 (E_RNA) where: Base-Base interactions energy: -140.808 where: short stacking energy: -62.115 Base-Backbone interact. energy: -0.025 local terms energy: -64.241733 where: bonds (distance) C4'-P energy: -14.151 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -19.474 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: 376 Temperature: 1.200000 Total energy: -199.267165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.267165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.267165 (E_RNA) where: Base-Base interactions energy: -138.704 where: short stacking energy: -65.475 Base-Backbone interact. energy: -0.008 local terms energy: -60.555377 where: bonds (distance) C4'-P energy: -9.750 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -15.924 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: 376 Temperature: 1.250000 Total energy: -79.637528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.637528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.637528 (E_RNA) where: Base-Base interactions energy: -39.980 where: short stacking energy: -30.746 Base-Backbone interact. energy: -0.156 local terms energy: -39.501595 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -8.053 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -8.718 tors. eta vs tors. theta energy: -4.144 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: 376 Temperature: 1.300000 Total energy: -174.970884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.970884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.970884 (E_RNA) where: Base-Base interactions energy: -129.231 where: short stacking energy: -52.736 Base-Backbone interact. energy: -0.385 local terms energy: -45.355665 where: bonds (distance) C4'-P energy: -10.130 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -10.924 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: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -71.309714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.309714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.309714 (E_RNA) where: Base-Base interactions energy: -28.174 where: short stacking energy: -25.430 Base-Backbone interact. energy: -0.209 local terms energy: -42.926997 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -9.638 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -220.002532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.002532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.002532 (E_RNA) where: Base-Base interactions energy: -155.250 where: short stacking energy: -71.832 Base-Backbone interact. energy: -0.576 local terms energy: -64.176860 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -7.669 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -221.937511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.937511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.937511 (E_RNA) where: Base-Base interactions energy: -149.879 where: short stacking energy: -66.067 Base-Backbone interact. energy: -0.210 local terms energy: -71.849019 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -17.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -217.726380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.726380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.726380 (E_RNA) where: Base-Base interactions energy: -145.961 where: short stacking energy: -67.782 Base-Backbone interact. energy: -0.007 local terms energy: -71.757953 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.475 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -20.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -215.517991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.517991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.517991 (E_RNA) where: Base-Base interactions energy: -147.384 where: short stacking energy: -64.141 Base-Backbone interact. energy: -0.022 local terms energy: -68.111548 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -18.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -204.278431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.278431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.278431 (E_RNA) where: Base-Base interactions energy: -139.408 where: short stacking energy: -62.617 Base-Backbone interact. energy: -0.001 local terms energy: -64.869524 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -11.154 flat angles C4'-P-C4' energy: -16.060 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -19.376 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: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -199.177399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.177399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.177399 (E_RNA) where: Base-Base interactions energy: -136.443 where: short stacking energy: -59.720 Base-Backbone interact. energy: -0.003 local terms energy: -62.730737 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -17.400 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: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -203.049941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.049941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.049941 (E_RNA) where: Base-Base interactions energy: -136.496 where: short stacking energy: -58.852 Base-Backbone interact. energy: -0.794 local terms energy: -65.759555 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -7.570 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -9.652 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: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -163.609729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.609729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.609729 (E_RNA) where: Base-Base interactions energy: -102.345 where: short stacking energy: -45.681 Base-Backbone interact. energy: -0.327 local terms energy: -60.937108 where: bonds (distance) C4'-P energy: -11.610 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -10.225 tors. eta vs tors. theta energy: -12.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -78.728798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.728798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.728798 (E_RNA) where: Base-Base interactions energy: -31.052 where: short stacking energy: -31.052 Base-Backbone interact. energy: -0.148 local terms energy: -47.528508 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -5.809 tors. eta vs tors. theta energy: -8.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -69.399704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.399704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.399704 (E_RNA) where: Base-Base interactions energy: -23.515 where: short stacking energy: -12.960 Base-Backbone interact. energy: 0.822 local terms energy: -46.706972 where: bonds (distance) C4'-P energy: -11.241 bonds (distance) P-C4' energy: -13.372 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -12.385 tors. eta vs tors. theta energy: 4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -217.833823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.833823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.833823 (E_RNA) where: Base-Base interactions energy: -145.976 where: short stacking energy: -63.423 Base-Backbone interact. energy: -0.668 local terms energy: -71.189329 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: -17.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -218.007640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.007640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.007640 (E_RNA) where: Base-Base interactions energy: -148.471 where: short stacking energy: -65.682 Base-Backbone interact. energy: -0.534 local terms energy: -69.002811 where: bonds (distance) C4'-P energy: -9.072 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -11.914 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: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -222.368613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.368613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.368613 (E_RNA) where: Base-Base interactions energy: -153.686 where: short stacking energy: -66.074 Base-Backbone interact. energy: -0.007 local terms energy: -68.675812 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -12.813 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -19.347 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: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -205.109553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.109553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.109553 (E_RNA) where: Base-Base interactions energy: -138.558 where: short stacking energy: -59.408 Base-Backbone interact. energy: -0.383 local terms energy: -66.169273 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -15.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -199.944249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.944249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.944249 (E_RNA) where: Base-Base interactions energy: -141.127 where: short stacking energy: -61.992 Base-Backbone interact. energy: -0.071 local terms energy: -58.746066 where: bonds (distance) C4'-P energy: -6.987 bonds (distance) P-C4' energy: -11.111 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -202.423845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.423845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.423845 (E_RNA) where: Base-Base interactions energy: -141.374 where: short stacking energy: -58.673 Base-Backbone interact. energy: -0.094 local terms energy: -60.955935 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -12.291 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -17.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -167.063321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.063321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.063321 (E_RNA) where: Base-Base interactions energy: -110.157 where: short stacking energy: -50.013 Base-Backbone interact. energy: -0.435 local terms energy: -56.471130 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -12.251 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -10.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -203.713520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.713520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.713520 (E_RNA) where: Base-Base interactions energy: -136.401 where: short stacking energy: -62.163 Base-Backbone interact. energy: -0.038 local terms energy: -67.274415 where: bonds (distance) C4'-P energy: -8.629 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -83.906929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.906929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.906929 (E_RNA) where: Base-Base interactions energy: -37.501 where: short stacking energy: -30.501 Base-Backbone interact. energy: -0.673 local terms energy: -45.732533 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -9.623 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -66.110161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.110161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.110161 (E_RNA) where: Base-Base interactions energy: -27.870 where: short stacking energy: -27.760 Base-Backbone interact. energy: -0.119 local terms energy: -38.121145 where: bonds (distance) C4'-P energy: -8.541 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -9.695 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -212.960215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.960215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.960215 (E_RNA) where: Base-Base interactions energy: -147.225 where: short stacking energy: -61.952 Base-Backbone interact. energy: -0.426 local terms energy: -65.309601 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -15.155 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: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -212.743025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.743025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.743025 (E_RNA) where: Base-Base interactions energy: -141.576 where: short stacking energy: -61.622 Base-Backbone interact. energy: -0.486 local terms energy: -70.681904 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -20.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -214.482636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.482636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.482636 (E_RNA) where: Base-Base interactions energy: -146.573 where: short stacking energy: -62.542 Base-Backbone interact. energy: -0.194 local terms energy: -67.715448 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -10.368 flat angles P-C4'-P energy: -10.183 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: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -210.470460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.470460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.470460 (E_RNA) where: Base-Base interactions energy: -142.441 where: short stacking energy: -70.500 Base-Backbone interact. energy: -0.389 local terms energy: -67.640197 where: bonds (distance) C4'-P energy: -10.730 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -15.821 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -18.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -212.645543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.645543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.645543 (E_RNA) where: Base-Base interactions energy: -144.547 where: short stacking energy: -62.518 Base-Backbone interact. energy: -0.424 local terms energy: -67.674379 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -17.983 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: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -202.036738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.036738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.036738 (E_RNA) where: Base-Base interactions energy: -141.194 where: short stacking energy: -57.961 Base-Backbone interact. energy: -0.597 local terms energy: -60.246705 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -14.098 flat angles C4'-P-C4' energy: -8.619 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -14.610 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: 379 Temperature: 1.200000 Total energy: -204.846389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.846389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.846389 (E_RNA) where: Base-Base interactions energy: -141.092 where: short stacking energy: -59.472 Base-Backbone interact. energy: -0.058 local terms energy: -63.696573 where: bonds (distance) C4'-P energy: -15.335 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -14.670 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: 8, replica: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -197.889456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.889456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.889456 (E_RNA) where: Base-Base interactions energy: -136.699 where: short stacking energy: -61.225 Base-Backbone interact. energy: -0.289 local terms energy: -60.901371 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -9.200 flat angles C4'-P-C4' energy: -11.384 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -19.836 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: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -71.824241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.824241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.824241 (E_RNA) where: Base-Base interactions energy: -27.597 where: short stacking energy: -26.162 Base-Backbone interact. energy: -0.112 local terms energy: -44.115993 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -10.946 flat angles C4'-P-C4' energy: -8.997 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: 0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -70.630346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.630346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.630346 (E_RNA) where: Base-Base interactions energy: -27.718 where: short stacking energy: -23.709 Base-Backbone interact. energy: -0.274 local terms energy: -42.637548 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -222.407329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.407329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.407329 (E_RNA) where: Base-Base interactions energy: -145.502 where: short stacking energy: -64.099 Base-Backbone interact. energy: -0.004 local terms energy: -76.900771 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -14.725 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -20.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -216.692806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.692806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.692806 (E_RNA) where: Base-Base interactions energy: -146.467 where: short stacking energy: -63.991 Base-Backbone interact. energy: 0.053 local terms energy: -70.279045 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -11.761 tors. eta vs tors. theta energy: -19.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -214.836850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.836850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.836850 (E_RNA) where: Base-Base interactions energy: -145.409 where: short stacking energy: -63.562 Base-Backbone interact. energy: -0.610 local terms energy: -68.817365 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -11.888 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -17.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -217.680120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.680120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.680120 (E_RNA) where: Base-Base interactions energy: -145.388 where: short stacking energy: -62.766 Base-Backbone interact. energy: -0.001 local terms energy: -72.292023 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -11.743 tors. eta vs tors. theta energy: -17.914 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: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -204.283004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.283004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.283004 (E_RNA) where: Base-Base interactions energy: -138.744 where: short stacking energy: -59.263 Base-Backbone interact. energy: -0.835 local terms energy: -64.703888 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -10.314 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -17.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -210.779260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.779260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.779260 (E_RNA) where: Base-Base interactions energy: -148.289 where: short stacking energy: -64.740 Base-Backbone interact. energy: -0.357 local terms energy: -62.132866 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -10.590 flat angles C4'-P-C4' energy: -15.329 flat angles P-C4'-P energy: -9.227 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: 7, replica: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -197.534125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.534125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.534125 (E_RNA) where: Base-Base interactions energy: -129.044 where: short stacking energy: -52.841 Base-Backbone interact. energy: -0.244 local terms energy: -68.246572 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -13.771 flat angles C4'-P-C4' energy: -11.074 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -17.389 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: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -189.525600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.525600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.525600 (E_RNA) where: Base-Base interactions energy: -124.417 where: short stacking energy: -55.489 Base-Backbone interact. energy: -0.004 local terms energy: -65.104598 where: bonds (distance) C4'-P energy: -8.127 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -11.998 tors. eta vs tors. theta energy: -15.699 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: 9, replica: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -80.868999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.868999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.868999 (E_RNA) where: Base-Base interactions energy: -31.959 where: short stacking energy: -31.959 Base-Backbone interact. energy: -0.027 local terms energy: -48.883027 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -10.131 flat angles C4'-P-C4' energy: -11.818 flat angles P-C4'-P energy: -6.438 tors. eta vs tors. theta energy: -5.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -96.148725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.148725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.148725 (E_RNA) where: Base-Base interactions energy: -41.747 where: short stacking energy: -19.560 Base-Backbone interact. energy: -0.191 local terms energy: -54.211108 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -10.053 flat angles P-C4'-P energy: -12.767 tors. eta vs tors. theta energy: 0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -222.110387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.110387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.110387 (E_RNA) where: Base-Base interactions energy: -150.979 where: short stacking energy: -66.155 Base-Backbone interact. energy: -0.002 local terms energy: -71.129792 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -16.078 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -18.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -220.774504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.774504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.774504 (E_RNA) where: Base-Base interactions energy: -148.096 where: short stacking energy: -66.095 Base-Backbone interact. energy: -0.003 local terms energy: -72.675667 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -9.480 tors. eta vs tors. theta energy: -20.851 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: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -222.659298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.659298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.659298 (E_RNA) where: Base-Base interactions energy: -155.198 where: short stacking energy: -66.883 Base-Backbone interact. energy: -0.336 local terms energy: -67.125096 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -10.675 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -21.759 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: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -214.265229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.265229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.265229 (E_RNA) where: Base-Base interactions energy: -142.894 where: short stacking energy: -62.883 Base-Backbone interact. energy: -0.028 local terms energy: -71.343161 where: bonds (distance) C4'-P energy: -12.808 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -18.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -206.670387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.670387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.670387 (E_RNA) where: Base-Base interactions energy: -140.068 where: short stacking energy: -66.535 Base-Backbone interact. energy: 0.872 local terms energy: -67.474229 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -13.091 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -16.212 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: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -208.840552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.840552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.840552 (E_RNA) where: Base-Base interactions energy: -142.641 where: short stacking energy: -66.294 Base-Backbone interact. energy: -0.122 local terms energy: -66.078113 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -11.436 flat angles P-C4'-P energy: -9.122 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: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -196.972299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.972299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.972299 (E_RNA) where: Base-Base interactions energy: -133.060 where: short stacking energy: -53.445 Base-Backbone interact. energy: -0.105 local terms energy: -63.807955 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -11.153 tors. eta vs tors. theta energy: -14.369 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: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -205.083073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.083073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.083073 (E_RNA) where: Base-Base interactions energy: -140.876 where: short stacking energy: -65.658 Base-Backbone interact. energy: -0.006 local terms energy: -64.201117 where: bonds (distance) C4'-P energy: -6.898 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -20.261 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: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -76.635448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.635448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.635448 (E_RNA) where: Base-Base interactions energy: -36.927 where: short stacking energy: -33.283 Base-Backbone interact. energy: -0.137 local terms energy: -39.571413 where: bonds (distance) C4'-P energy: -9.356 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -83.380186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.380186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.380186 (E_RNA) where: Base-Base interactions energy: -43.028 where: short stacking energy: -28.726 Base-Backbone interact. energy: -0.021 local terms energy: -40.330881 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -11.452 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -220.899057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.899057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.899057 (E_RNA) where: Base-Base interactions energy: -147.655 where: short stacking energy: -64.091 Base-Backbone interact. energy: -0.431 local terms energy: -72.813034 where: bonds (distance) C4'-P energy: -14.000 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -20.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -218.090601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.090601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.090601 (E_RNA) where: Base-Base interactions energy: -147.006 where: short stacking energy: -70.139 Base-Backbone interact. energy: -2.677 local terms energy: -68.407951 where: bonds (distance) C4'-P energy: -10.875 bonds (distance) P-C4' energy: -10.195 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -11.877 tors. eta vs tors. theta energy: -20.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -210.119236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.119236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.119236 (E_RNA) where: Base-Base interactions energy: -141.818 where: short stacking energy: -61.047 Base-Backbone interact. energy: -0.001 local terms energy: -68.301086 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -16.467 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: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -208.678413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.678413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.678413 (E_RNA) where: Base-Base interactions energy: -139.969 where: short stacking energy: -59.451 Base-Backbone interact. energy: -0.628 local terms energy: -68.081031 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -12.028 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -19.463 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: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -209.509350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.509350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.509350 (E_RNA) where: Base-Base interactions energy: -144.150 where: short stacking energy: -60.362 Base-Backbone interact. energy: -0.004 local terms energy: -65.355290 where: bonds (distance) C4'-P energy: -10.598 bonds (distance) P-C4' energy: -10.224 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -11.137 tors. eta vs tors. theta energy: -19.717 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: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -210.385838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.385838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.385838 (E_RNA) where: Base-Base interactions energy: -146.389 where: short stacking energy: -62.024 Base-Backbone interact. energy: 0.196 local terms energy: -64.192610 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -12.784 flat angles C4'-P-C4' energy: -14.498 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -15.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -206.180641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.180641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.180641 (E_RNA) where: Base-Base interactions energy: -140.319 where: short stacking energy: -62.088 Base-Backbone interact. energy: -0.474 local terms energy: -65.387917 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -10.187 flat angles P-C4'-P energy: -9.967 tors. eta vs tors. theta energy: -19.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -197.106110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.106110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.106110 (E_RNA) where: Base-Base interactions energy: -136.278 where: short stacking energy: -59.710 Base-Backbone interact. energy: -0.000 local terms energy: -60.827827 where: bonds (distance) C4'-P energy: -10.886 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -16.818 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: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -73.538202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.538202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.538202 (E_RNA) where: Base-Base interactions energy: -33.720 where: short stacking energy: -27.873 Base-Backbone interact. energy: -0.359 local terms energy: -39.458967 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -73.696770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.696770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.696770 (E_RNA) where: Base-Base interactions energy: -24.376 where: short stacking energy: -24.376 Base-Backbone interact. energy: -0.131 local terms energy: -49.189713 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -1.871 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: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -222.247525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.247525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.247525 (E_RNA) where: Base-Base interactions energy: -150.695 where: short stacking energy: -68.467 Base-Backbone interact. energy: -0.020 local terms energy: -71.532901 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -16.045 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -10.944 tors. eta vs tors. theta energy: -18.425 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: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -211.034951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.034951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.034951 (E_RNA) where: Base-Base interactions energy: -143.258 where: short stacking energy: -65.166 Base-Backbone interact. energy: -0.662 local terms energy: -67.115249 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -19.561 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: 7 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -216.489235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.489235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.489235 (E_RNA) where: Base-Base interactions energy: -147.058 where: short stacking energy: -65.770 Base-Backbone interact. energy: -0.014 local terms energy: -69.418008 where: bonds (distance) C4'-P energy: -12.970 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -11.217 tors. eta vs tors. theta energy: -17.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -208.345106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.345106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.345106 (E_RNA) where: Base-Base interactions energy: -141.242 where: short stacking energy: -59.740 Base-Backbone interact. energy: -0.123 local terms energy: -66.980258 where: bonds (distance) C4'-P energy: -15.098 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -10.085 flat angles P-C4'-P energy: -11.218 tors. eta vs tors. theta energy: -16.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -206.273547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.273547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.273547 (E_RNA) where: Base-Base interactions energy: -137.275 where: short stacking energy: -51.185 Base-Backbone interact. energy: 0.368 local terms energy: -69.367083 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -12.170 tors. eta vs tors. theta energy: -15.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -202.103501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.103501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.103501 (E_RNA) where: Base-Base interactions energy: -129.029 where: short stacking energy: -57.696 Base-Backbone interact. energy: 0.030 local terms energy: -73.104338 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -16.228 flat angles P-C4'-P energy: -10.917 tors. eta vs tors. theta energy: -18.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -201.983437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.983437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.983437 (E_RNA) where: Base-Base interactions energy: -137.032 where: short stacking energy: -60.695 Base-Backbone interact. energy: -0.022 local terms energy: -64.929981 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -10.770 tors. eta vs tors. theta energy: -19.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -196.540834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.540834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.540834 (E_RNA) where: Base-Base interactions energy: -128.941 where: short stacking energy: -51.986 Base-Backbone interact. energy: -0.017 local terms energy: -67.582042 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -14.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -70.251109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.251109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.251109 (E_RNA) where: Base-Base interactions energy: -30.813 where: short stacking energy: -30.813 Base-Backbone interact. energy: -0.139 local terms energy: -39.299303 where: bonds (distance) C4'-P energy: -9.862 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -12.146 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -1.525 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: 383 Temperature: 1.350000 Total energy: -76.443400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.443400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.443400 (E_RNA) where: Base-Base interactions energy: -38.409 where: short stacking energy: -26.167 Base-Backbone interact. energy: -0.095 local terms energy: -37.940037 where: bonds (distance) C4'-P energy: -9.331 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -9.666 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -222.893515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.893515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.893515 (E_RNA) where: Base-Base interactions energy: -154.338 where: short stacking energy: -70.418 Base-Backbone interact. energy: -0.134 local terms energy: -68.420686 where: bonds (distance) C4'-P energy: -14.685 bonds (distance) P-C4' energy: -9.711 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -20.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -217.491087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.491087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.491087 (E_RNA) where: Base-Base interactions energy: -150.337 where: short stacking energy: -69.042 Base-Backbone interact. energy: -0.043 local terms energy: -67.110247 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -18.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -218.202494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.202494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.202494 (E_RNA) where: Base-Base interactions energy: -152.192 where: short stacking energy: -61.073 Base-Backbone interact. energy: -0.110 local terms energy: -65.900815 where: bonds (distance) C4'-P energy: -12.964 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -20.400 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: 384 Temperature: 1.050000 Total energy: -206.443704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.443704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.443704 (E_RNA) where: Base-Base interactions energy: -139.033 where: short stacking energy: -57.515 Base-Backbone interact. energy: -0.647 local terms energy: -66.764504 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -14.948 flat angles P-C4'-P energy: -7.740 tors. eta vs tors. theta energy: -17.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -207.135965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.135965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.135965 (E_RNA) where: Base-Base interactions energy: -140.942 where: short stacking energy: -57.235 Base-Backbone interact. energy: -0.031 local terms energy: -66.163117 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -13.943 flat angles C4'-P-C4' energy: -14.617 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -15.701 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: 6, replica: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -197.186741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.186741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.186741 (E_RNA) where: Base-Base interactions energy: -132.496 where: short stacking energy: -57.232 Base-Backbone interact. energy: -0.002 local terms energy: -64.688461 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -11.897 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -18.462 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: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -197.190545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.190545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.190545 (E_RNA) where: Base-Base interactions energy: -138.278 where: short stacking energy: -63.643 Base-Backbone interact. energy: -0.192 local terms energy: -58.721007 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -14.973 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -16.386 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: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -192.957331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.957331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.957331 (E_RNA) where: Base-Base interactions energy: -136.616 where: short stacking energy: -56.371 Base-Backbone interact. energy: -0.089 local terms energy: -56.252345 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -11.245 flat angles C4'-P-C4' energy: -10.194 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -15.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -83.156965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.156965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.156965 (E_RNA) where: Base-Base interactions energy: -46.779 where: short stacking energy: -22.425 Base-Backbone interact. energy: -0.478 local terms energy: -35.900360 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -13.150 flat angles C4'-P-C4' energy: -11.581 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: 3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -65.400044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.400044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.400044 (E_RNA) where: Base-Base interactions energy: -22.990 where: short stacking energy: -19.070 Base-Backbone interact. energy: -0.481 local terms energy: -41.928821 where: bonds (distance) C4'-P energy: -9.803 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: 1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -212.876358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.876358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.876358 (E_RNA) where: Base-Base interactions energy: -142.113 where: short stacking energy: -60.418 Base-Backbone interact. energy: -0.001 local terms energy: -70.763159 where: bonds (distance) C4'-P energy: -12.606 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -15.772 flat angles P-C4'-P energy: -10.959 tors. eta vs tors. theta energy: -18.165 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: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -213.501840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.501840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.501840 (E_RNA) where: Base-Base interactions energy: -153.240 where: short stacking energy: -66.284 Base-Backbone interact. energy: -0.123 local terms energy: -60.138633 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -19.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -214.455333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.455333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.455333 (E_RNA) where: Base-Base interactions energy: -144.968 where: short stacking energy: -65.859 Base-Backbone interact. energy: -0.015 local terms energy: -69.472066 where: bonds (distance) C4'-P energy: -15.377 bonds (distance) P-C4' energy: -13.866 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -17.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -210.360689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.360689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.360689 (E_RNA) where: Base-Base interactions energy: -142.814 where: short stacking energy: -57.858 Base-Backbone interact. energy: -0.004 local terms energy: -67.543275 where: bonds (distance) C4'-P energy: -10.839 bonds (distance) P-C4' energy: -14.242 flat angles C4'-P-C4' energy: -14.685 flat angles P-C4'-P energy: -11.065 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: 5, replica: 7 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -204.002581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.002581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.002581 (E_RNA) where: Base-Base interactions energy: -140.085 where: short stacking energy: -57.382 Base-Backbone interact. energy: 0.709 local terms energy: -64.626037 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -15.266 flat angles P-C4'-P energy: -7.535 tors. eta vs tors. theta energy: -16.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -197.425768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.425768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.425768 (E_RNA) where: Base-Base interactions energy: -139.356 where: short stacking energy: -60.408 Base-Backbone interact. energy: -0.098 local terms energy: -57.971852 where: bonds (distance) C4'-P energy: -10.171 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -9.147 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -14.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -192.656207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.656207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.656207 (E_RNA) where: Base-Base interactions energy: -140.405 where: short stacking energy: -57.673 Base-Backbone interact. energy: -0.048 local terms energy: -52.202600 where: bonds (distance) C4'-P energy: -7.405 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -10.442 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -18.271 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: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -196.680252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.680252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.680252 (E_RNA) where: Base-Base interactions energy: -134.717 where: short stacking energy: -59.479 Base-Backbone interact. energy: -0.001 local terms energy: -61.962682 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -17.322 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: 385 Temperature: 1.300000 Total energy: -79.584060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.584060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.584060 (E_RNA) where: Base-Base interactions energy: -37.364 where: short stacking energy: -29.176 Base-Backbone interact. energy: -0.097 local terms energy: -42.122969 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -0.614 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: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -67.952939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.952939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.952939 (E_RNA) where: Base-Base interactions energy: -24.516 where: short stacking energy: -20.596 Base-Backbone interact. energy: -0.387 local terms energy: -43.050080 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -14.745 flat angles C4'-P-C4' energy: -9.319 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: 0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -226.140934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.140934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.140934 (E_RNA) where: Base-Base interactions energy: -152.517 where: short stacking energy: -67.924 Base-Backbone interact. energy: -0.589 local terms energy: -73.035338 where: bonds (distance) C4'-P energy: -15.244 bonds (distance) P-C4' energy: -11.205 flat angles C4'-P-C4' energy: -12.898 flat angles P-C4'-P energy: -11.973 tors. eta vs tors. theta energy: -21.716 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: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -223.351097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.351097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.351097 (E_RNA) where: Base-Base interactions energy: -151.029 where: short stacking energy: -68.048 Base-Backbone interact. energy: 2.022 local terms energy: -74.344202 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -9.381 tors. eta vs tors. theta energy: -19.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -210.197051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.197051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.197051 (E_RNA) where: Base-Base interactions energy: -144.763 where: short stacking energy: -62.625 Base-Backbone interact. energy: -0.006 local terms energy: -65.427852 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -12.816 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -15.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -217.335177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.335177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.335177 (E_RNA) where: Base-Base interactions energy: -155.545 where: short stacking energy: -70.043 Base-Backbone interact. energy: -1.381 local terms energy: -60.408930 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -8.891 tors. eta vs tors. theta energy: -16.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -212.558020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.558020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.558020 (E_RNA) where: Base-Base interactions energy: -141.894 where: short stacking energy: -64.132 Base-Backbone interact. energy: -0.001 local terms energy: -70.663019 where: bonds (distance) C4'-P energy: -14.383 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -11.643 tors. eta vs tors. theta energy: -20.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -207.934573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.934573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.934573 (E_RNA) where: Base-Base interactions energy: -141.578 where: short stacking energy: -63.727 Base-Backbone interact. energy: -0.234 local terms energy: -66.122339 where: bonds (distance) C4'-P energy: -10.288 bonds (distance) P-C4' energy: -12.678 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -18.052 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: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -196.181111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.181111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.181111 (E_RNA) where: Base-Base interactions energy: -138.906 where: short stacking energy: -58.044 Base-Backbone interact. energy: -0.009 local terms energy: -57.265272 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -9.933 tors. eta vs tors. theta energy: -15.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -182.780005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.780005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.780005 (E_RNA) where: Base-Base interactions energy: -124.995 where: short stacking energy: -50.684 Base-Backbone interact. energy: -0.016 local terms energy: -57.768394 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -13.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -75.693829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.693829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.693829 (E_RNA) where: Base-Base interactions energy: -35.937 where: short stacking energy: -35.937 Base-Backbone interact. energy: -0.703 local terms energy: -39.053951 where: bonds (distance) C4'-P energy: -7.457 bonds (distance) P-C4' energy: -11.010 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -2.257 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: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -67.906726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.906726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.906726 (E_RNA) where: Base-Base interactions energy: -34.599 where: short stacking energy: -26.124 Base-Backbone interact. energy: -0.405 local terms energy: -32.902809 where: bonds (distance) C4'-P energy: -9.481 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: 3.034 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -223.380738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.380738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.380738 (E_RNA) where: Base-Base interactions energy: -150.758 where: short stacking energy: -64.309 Base-Backbone interact. energy: -0.218 local terms energy: -72.404887 where: bonds (distance) C4'-P energy: -16.017 bonds (distance) P-C4' energy: -15.303 flat angles C4'-P-C4' energy: -11.568 flat angles P-C4'-P energy: -11.158 tors. eta vs tors. theta energy: -18.359 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: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -223.255475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.255475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.255475 (E_RNA) where: Base-Base interactions energy: -148.672 where: short stacking energy: -69.536 Base-Backbone interact. energy: -0.671 local terms energy: -73.912858 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -16.383 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -12.090 tors. eta vs tors. theta energy: -20.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -211.828612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.828612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.828612 (E_RNA) where: Base-Base interactions energy: -146.110 where: short stacking energy: -65.016 Base-Backbone interact. energy: -0.000 local terms energy: -65.717694 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -15.555 flat angles P-C4'-P energy: -11.054 tors. eta vs tors. theta energy: -14.855 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: 387 Temperature: 1.050000 Total energy: -214.643354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.643354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.643354 (E_RNA) where: Base-Base interactions energy: -144.004 where: short stacking energy: -59.076 Base-Backbone interact. energy: -0.487 local terms energy: -70.152045 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -12.167 flat angles C4'-P-C4' energy: -15.496 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -17.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -205.128445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.128445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.128445 (E_RNA) where: Base-Base interactions energy: -148.975 where: short stacking energy: -58.582 Base-Backbone interact. energy: -0.405 local terms energy: -55.748042 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -10.542 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -12.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -204.824093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.824093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.824093 (E_RNA) where: Base-Base interactions energy: -141.435 where: short stacking energy: -61.919 Base-Backbone interact. energy: -0.021 local terms energy: -63.367837 where: bonds (distance) C4'-P energy: -8.736 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -8.355 tors. eta vs tors. theta energy: -19.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -199.505513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.505513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.505513 (E_RNA) where: Base-Base interactions energy: -136.682 where: short stacking energy: -59.514 Base-Backbone interact. energy: -0.074 local terms energy: -62.750082 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -16.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -189.723225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.723225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.723225 (E_RNA) where: Base-Base interactions energy: -132.487 where: short stacking energy: -59.157 Base-Backbone interact. energy: -1.322 local terms energy: -55.913834 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -14.062 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -13.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -72.244499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.244499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.244499 (E_RNA) where: Base-Base interactions energy: -29.493 where: short stacking energy: -29.226 Base-Backbone interact. energy: -0.062 local terms energy: -42.689650 where: bonds (distance) C4'-P energy: -10.404 bonds (distance) P-C4' energy: -11.716 flat angles C4'-P-C4' energy: -13.285 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -71.806764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.806764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.806764 (E_RNA) where: Base-Base interactions energy: -29.869 where: short stacking energy: -29.869 Base-Backbone interact. energy: -0.026 local terms energy: -41.911949 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -7.746 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -222.862462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.862462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.862462 (E_RNA) where: Base-Base interactions energy: -149.375 where: short stacking energy: -65.261 Base-Backbone interact. energy: -0.007 local terms energy: -73.480598 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -12.433 flat angles P-C4'-P energy: -12.934 tors. eta vs tors. theta energy: -18.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -213.730470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.730470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.730470 (E_RNA) where: Base-Base interactions energy: -145.443 where: short stacking energy: -59.665 Base-Backbone interact. energy: -0.006 local terms energy: -68.281508 where: bonds (distance) C4'-P energy: -15.041 bonds (distance) P-C4' energy: -10.763 flat angles C4'-P-C4' energy: -15.579 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -18.588 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: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -216.311736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.311736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.311736 (E_RNA) where: Base-Base interactions energy: -147.167 where: short stacking energy: -64.932 Base-Backbone interact. energy: -0.051 local terms energy: -69.093788 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -19.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -212.201223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.201223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.201223 (E_RNA) where: Base-Base interactions energy: -146.160 where: short stacking energy: -64.452 Base-Backbone interact. energy: -0.408 local terms energy: -65.632855 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -18.632 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: 388 Temperature: 1.100000 Total energy: -206.800620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.800620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.800620 (E_RNA) where: Base-Base interactions energy: -142.988 where: short stacking energy: -61.198 Base-Backbone interact. energy: -0.440 local terms energy: -63.373219 where: bonds (distance) C4'-P energy: -11.008 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -16.419 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: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -199.069999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.069999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.069999 (E_RNA) where: Base-Base interactions energy: -138.244 where: short stacking energy: -55.732 Base-Backbone interact. energy: -0.100 local terms energy: -60.726252 where: bonds (distance) C4'-P energy: -11.016 bonds (distance) P-C4' energy: -8.868 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -10.104 tors. eta vs tors. theta energy: -17.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -198.841952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.841952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.841952 (E_RNA) where: Base-Base interactions energy: -137.858 where: short stacking energy: -61.651 Base-Backbone interact. energy: -0.100 local terms energy: -60.883887 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -16.183 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: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -193.320486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.320486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.320486 (E_RNA) where: Base-Base interactions energy: -128.303 where: short stacking energy: -49.323 Base-Backbone interact. energy: -0.768 local terms energy: -64.249002 where: bonds (distance) C4'-P energy: -13.915 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -14.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -99.625315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.625315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.625315 (E_RNA) where: Base-Base interactions energy: -47.489 where: short stacking energy: -47.489 Base-Backbone interact. energy: -0.119 local terms energy: -52.017108 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -10.543 flat angles C4'-P-C4' energy: -13.310 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -11.816 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: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -74.979361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.979361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.979361 (E_RNA) where: Base-Base interactions energy: -30.045 where: short stacking energy: -28.860 Base-Backbone interact. energy: -0.131 local terms energy: -44.804143 where: bonds (distance) C4'-P energy: -9.916 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -4.576 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: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -222.237137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.237137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.237137 (E_RNA) where: Base-Base interactions energy: -146.817 where: short stacking energy: -61.660 Base-Backbone interact. energy: -0.630 local terms energy: -74.790963 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -15.406 flat angles C4'-P-C4' energy: -16.716 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -20.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -219.533443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.533443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.533443 (E_RNA) where: Base-Base interactions energy: -152.266 where: short stacking energy: -68.075 Base-Backbone interact. energy: -0.079 local terms energy: -67.188848 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -9.752 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -11.278 tors. eta vs tors. theta energy: -16.897 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: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -219.537326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.537326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.537326 (E_RNA) where: Base-Base interactions energy: -149.634 where: short stacking energy: -65.711 Base-Backbone interact. energy: -0.008 local terms energy: -69.895082 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -19.434 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: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -209.529616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.529616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.529616 (E_RNA) where: Base-Base interactions energy: -147.565 where: short stacking energy: -63.874 Base-Backbone interact. energy: -0.048 local terms energy: -61.916692 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -8.306 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -9.825 tors. eta vs tors. theta energy: -19.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -203.832109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.832109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.832109 (E_RNA) where: Base-Base interactions energy: -135.885 where: short stacking energy: -59.381 Base-Backbone interact. energy: -0.000 local terms energy: -67.947160 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -15.507 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: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -202.796455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.796455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.796455 (E_RNA) where: Base-Base interactions energy: -143.950 where: short stacking energy: -59.439 Base-Backbone interact. energy: -0.099 local terms energy: -58.747828 where: bonds (distance) C4'-P energy: -9.745 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -13.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -194.675371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.675371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.675371 (E_RNA) where: Base-Base interactions energy: -141.800 where: short stacking energy: -56.732 Base-Backbone interact. energy: -0.104 local terms energy: -52.771453 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -12.771 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: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -195.760798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.760798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.760798 (E_RNA) where: Base-Base interactions energy: -134.731 where: short stacking energy: -53.279 Base-Backbone interact. energy: -1.214 local terms energy: -59.815753 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -10.878 flat angles P-C4'-P energy: -8.818 tors. eta vs tors. theta energy: -14.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -79.780993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.780993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.780993 (E_RNA) where: Base-Base interactions energy: -34.801 where: short stacking energy: -34.801 Base-Backbone interact. energy: -0.036 local terms energy: -44.944581 where: bonds (distance) C4'-P energy: -12.506 bonds (distance) P-C4' energy: -9.466 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -7.997 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: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -76.581963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.581963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.581963 (E_RNA) where: Base-Base interactions energy: -29.118 where: short stacking energy: -25.090 Base-Backbone interact. energy: -0.049 local terms energy: -47.414903 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -222.410188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.410188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.410188 (E_RNA) where: Base-Base interactions energy: -150.731 where: short stacking energy: -68.810 Base-Backbone interact. energy: -0.004 local terms energy: -71.674457 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -11.024 flat angles C4'-P-C4' energy: -13.530 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -21.217 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: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -218.041238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.041238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.041238 (E_RNA) where: Base-Base interactions energy: -147.367 where: short stacking energy: -65.752 Base-Backbone interact. energy: -0.012 local terms energy: -70.662436 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -20.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -205.953904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.953904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.953904 (E_RNA) where: Base-Base interactions energy: -138.995 where: short stacking energy: -60.129 Base-Backbone interact. energy: -0.010 local terms energy: -66.949790 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -15.382 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: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -211.158165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.158165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.158165 (E_RNA) where: Base-Base interactions energy: -140.977 where: short stacking energy: -63.479 Base-Backbone interact. energy: -0.005 local terms energy: -70.176164 where: bonds (distance) C4'-P energy: -12.387 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -19.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -218.411596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.411596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.411596 (E_RNA) where: Base-Base interactions energy: -145.398 where: short stacking energy: -63.569 Base-Backbone interact. energy: -0.501 local terms energy: -72.512817 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -16.688 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -18.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -203.517499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.517499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.517499 (E_RNA) where: Base-Base interactions energy: -135.463 where: short stacking energy: -60.625 Base-Backbone interact. energy: -0.005 local terms energy: -68.049611 where: bonds (distance) C4'-P energy: -8.448 bonds (distance) P-C4' energy: -14.034 flat angles C4'-P-C4' energy: -16.468 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -19.673 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: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -197.458766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.458766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.458766 (E_RNA) where: Base-Base interactions energy: -134.925 where: short stacking energy: -52.467 Base-Backbone interact. energy: -0.128 local terms energy: -62.406380 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -12.083 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -15.566 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: 8, replica: 5 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -190.311186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.311186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.311186 (E_RNA) where: Base-Base interactions energy: -124.240 where: short stacking energy: -46.349 Base-Backbone interact. energy: -0.755 local terms energy: -65.316157 where: bonds (distance) C4'-P energy: -15.695 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -10.481 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: 4 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -72.079887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.079887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.079887 (E_RNA) where: Base-Base interactions energy: -24.073 where: short stacking energy: -19.532 Base-Backbone interact. energy: -0.196 local terms energy: -47.810869 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -71.216594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.216594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.216594 (E_RNA) where: Base-Base interactions energy: -26.646 where: short stacking energy: -26.646 Base-Backbone interact. energy: -0.186 local terms energy: -44.385122 where: bonds (distance) C4'-P energy: -9.507 bonds (distance) P-C4' energy: -12.516 flat angles C4'-P-C4' energy: -11.910 flat angles P-C4'-P energy: -7.328 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: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -223.858965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.858965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.858965 (E_RNA) where: Base-Base interactions energy: -150.401 where: short stacking energy: -67.139 Base-Backbone interact. energy: -1.598 local terms energy: -71.860019 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -20.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -214.983442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.983442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.983442 (E_RNA) where: Base-Base interactions energy: -146.855 where: short stacking energy: -60.544 Base-Backbone interact. energy: -0.054 local terms energy: -68.075025 where: bonds (distance) C4'-P energy: -12.910 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -8.978 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: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -221.126314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.126314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.126314 (E_RNA) where: Base-Base interactions energy: -150.875 where: short stacking energy: -69.203 Base-Backbone interact. energy: -0.086 local terms energy: -70.165702 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -13.387 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -11.084 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: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -217.914526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.914526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.914526 (E_RNA) where: Base-Base interactions energy: -147.386 where: short stacking energy: -59.367 Base-Backbone interact. energy: -0.007 local terms energy: -70.521104 where: bonds (distance) C4'-P energy: -14.951 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -15.727 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: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -202.928541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.928541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.928541 (E_RNA) where: Base-Base interactions energy: -141.365 where: short stacking energy: -57.395 Base-Backbone interact. energy: -0.043 local terms energy: -61.520194 where: bonds (distance) C4'-P energy: -14.429 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -16.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -199.802183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.802183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.802183 (E_RNA) where: Base-Base interactions energy: -139.449 where: short stacking energy: -56.744 Base-Backbone interact. energy: -0.689 local terms energy: -59.663451 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -13.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -201.024227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.024227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.024227 (E_RNA) where: Base-Base interactions energy: -139.806 where: short stacking energy: -59.544 Base-Backbone interact. energy: -0.006 local terms energy: -61.212576 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -7.763 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -11.485 tors. eta vs tors. theta energy: -15.794 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: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -194.879484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.879484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.879484 (E_RNA) where: Base-Base interactions energy: -136.998 where: short stacking energy: -55.339 Base-Backbone interact. energy: -0.320 local terms energy: -57.561865 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -15.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -75.306177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.306177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.306177 (E_RNA) where: Base-Base interactions energy: -25.444 where: short stacking energy: -24.432 Base-Backbone interact. energy: 0.058 local terms energy: -49.920490 where: bonds (distance) C4'-P energy: -11.836 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -6.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -77.155580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.155580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.155580 (E_RNA) where: Base-Base interactions energy: -22.672 where: short stacking energy: -22.528 Base-Backbone interact. energy: -0.042 local terms energy: -54.442170 where: bonds (distance) C4'-P energy: -16.274 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -8.838 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -5.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -220.546314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.546314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.546314 (E_RNA) where: Base-Base interactions energy: -148.285 where: short stacking energy: -66.905 Base-Backbone interact. energy: -1.066 local terms energy: -71.195221 where: bonds (distance) C4'-P energy: -11.461 bonds (distance) P-C4' energy: -15.586 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -10.615 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: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -231.110971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.110971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.110971 (E_RNA) where: Base-Base interactions energy: -155.640 where: short stacking energy: -67.702 Base-Backbone interact. energy: -0.607 local terms energy: -74.864010 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -21.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -225.429100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.429100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.429100 (E_RNA) where: Base-Base interactions energy: -153.391 where: short stacking energy: -69.191 Base-Backbone interact. energy: -0.005 local terms energy: -72.033057 where: bonds (distance) C4'-P energy: -13.735 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -15.898 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -20.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -205.165429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.165429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.165429 (E_RNA) where: Base-Base interactions energy: -142.139 where: short stacking energy: -57.039 Base-Backbone interact. energy: -0.103 local terms energy: -62.923741 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -10.680 tors. eta vs tors. theta energy: -12.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -207.172838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.172838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.172838 (E_RNA) where: Base-Base interactions energy: -140.580 where: short stacking energy: -66.670 Base-Backbone interact. energy: -0.001 local terms energy: -66.592285 where: bonds (distance) C4'-P energy: -15.180 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -18.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -205.582317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.582317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.582317 (E_RNA) where: Base-Base interactions energy: -135.044 where: short stacking energy: -55.286 Base-Backbone interact. energy: -0.034 local terms energy: -70.503950 where: bonds (distance) C4'-P energy: -16.854 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -12.388 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -17.308 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: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -196.709017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.709017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.709017 (E_RNA) where: Base-Base interactions energy: -133.711 where: short stacking energy: -54.222 Base-Backbone interact. energy: -0.052 local terms energy: -62.946068 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -14.803 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -13.429 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: 8, replica: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -197.761308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.761308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.761308 (E_RNA) where: Base-Base interactions energy: -133.415 where: short stacking energy: -55.913 Base-Backbone interact. energy: -0.055 local terms energy: -64.291170 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -12.222 tors. eta vs tors. theta energy: -14.449 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: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -83.118109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.118109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.118109 (E_RNA) where: Base-Base interactions energy: -45.618 where: short stacking energy: -20.821 Base-Backbone interact. energy: 1.241 local terms energy: -38.741609 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: 1.118 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: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -114.844011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.844011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.844011 (E_RNA) where: Base-Base interactions energy: -70.356 where: short stacking energy: -28.041 Base-Backbone interact. energy: -0.132 local terms energy: -44.356438 where: bonds (distance) C4'-P energy: -8.170 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -8.991 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -223.282588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.282588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.282588 (E_RNA) where: Base-Base interactions energy: -147.054 where: short stacking energy: -60.358 Base-Backbone interact. energy: -0.636 local terms energy: -75.592635 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -17.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -220.793195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.793195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.793195 (E_RNA) where: Base-Base interactions energy: -151.934 where: short stacking energy: -65.031 Base-Backbone interact. energy: -0.041 local terms energy: -68.818371 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -17.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -214.687967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.687967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.687967 (E_RNA) where: Base-Base interactions energy: -146.936 where: short stacking energy: -62.273 Base-Backbone interact. energy: -0.030 local terms energy: -67.721519 where: bonds (distance) C4'-P energy: -9.654 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -11.616 tors. eta vs tors. theta energy: -17.148 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: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -205.173945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.173945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.173945 (E_RNA) where: Base-Base interactions energy: -138.877 where: short stacking energy: -61.342 Base-Backbone interact. energy: -0.356 local terms energy: -65.941192 where: bonds (distance) C4'-P energy: -14.598 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -18.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -201.532225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.532225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.532225 (E_RNA) where: Base-Base interactions energy: -142.344 where: short stacking energy: -58.018 Base-Backbone interact. energy: -0.087 local terms energy: -59.100707 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -10.228 flat angles C4'-P-C4' energy: -16.480 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -14.375 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: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -200.928335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.928335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.928335 (E_RNA) where: Base-Base interactions energy: -140.018 where: short stacking energy: -59.782 Base-Backbone interact. energy: -0.003 local terms energy: -60.907763 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -9.790 tors. eta vs tors. theta energy: -13.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -198.883128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.883128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.883128 (E_RNA) where: Base-Base interactions energy: -138.540 where: short stacking energy: -56.349 Base-Backbone interact. energy: -2.653 local terms energy: -57.690273 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -9.477 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -16.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -178.099106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.099106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.099106 (E_RNA) where: Base-Base interactions energy: -121.683 where: short stacking energy: -51.653 Base-Backbone interact. energy: -0.763 local terms energy: -55.653154 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -11.638 flat angles C4'-P-C4' energy: -12.117 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -12.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -75.256485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.256485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.256485 (E_RNA) where: Base-Base interactions energy: -31.709 where: short stacking energy: -20.248 Base-Backbone interact. energy: 0.126 local terms energy: -43.673354 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -10.909 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -1.549 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: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -65.661599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.661599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.661599 (E_RNA) where: Base-Base interactions energy: -25.033 where: short stacking energy: -25.033 Base-Backbone interact. energy: 0.479 local terms energy: -41.107399 where: bonds (distance) C4'-P energy: -11.125 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -226.201351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.201351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.201351 (E_RNA) where: Base-Base interactions energy: -152.097 where: short stacking energy: -65.755 Base-Backbone interact. energy: -0.001 local terms energy: -74.103389 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -21.126 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -216.336191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.336191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.336191 (E_RNA) where: Base-Base interactions energy: -148.492 where: short stacking energy: -63.828 Base-Backbone interact. energy: 2.445 local terms energy: -70.290008 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -10.727 tors. eta vs tors. theta energy: -17.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -211.114801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.114801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.114801 (E_RNA) where: Base-Base interactions energy: -138.166 where: short stacking energy: -61.838 Base-Backbone interact. energy: -0.221 local terms energy: -72.727712 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -14.896 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -19.173 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: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -203.603785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.603785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.603785 (E_RNA) where: Base-Base interactions energy: -141.197 where: short stacking energy: -59.358 Base-Backbone interact. energy: -0.145 local terms energy: -62.261750 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -13.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -200.168807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.168807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.168807 (E_RNA) where: Base-Base interactions energy: -134.877 where: short stacking energy: -51.411 Base-Backbone interact. energy: -0.427 local terms energy: -64.864657 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -13.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -202.697060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.697060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.697060 (E_RNA) where: Base-Base interactions energy: -135.728 where: short stacking energy: -60.662 Base-Backbone interact. energy: -0.094 local terms energy: -66.874527 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -14.360 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: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -191.467662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.467662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.467662 (E_RNA) where: Base-Base interactions energy: -135.285 where: short stacking energy: -54.549 Base-Backbone interact. energy: -0.372 local terms energy: -55.811355 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -11.181 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -15.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -183.889835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.889835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.889835 (E_RNA) where: Base-Base interactions energy: -120.999 where: short stacking energy: -54.950 Base-Backbone interact. energy: -0.134 local terms energy: -62.757210 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -9.509 flat angles P-C4'-P energy: -9.024 tors. eta vs tors. theta energy: -15.473 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: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -85.776157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.776157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.776157 (E_RNA) where: Base-Base interactions energy: -33.666 where: short stacking energy: -28.566 Base-Backbone interact. energy: -0.199 local terms energy: -51.911361 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -11.719 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -76.420302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.420302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.420302 (E_RNA) where: Base-Base interactions energy: -30.939 where: short stacking energy: -30.939 Base-Backbone interact. energy: -0.012 local terms energy: -45.469240 where: bonds (distance) C4'-P energy: -9.526 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -227.064381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.064381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.064381 (E_RNA) where: Base-Base interactions energy: -156.572 where: short stacking energy: -68.076 Base-Backbone interact. energy: -0.008 local terms energy: -70.484151 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -16.066 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -16.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -218.873989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.873989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.873989 (E_RNA) where: Base-Base interactions energy: -150.313 where: short stacking energy: -66.481 Base-Backbone interact. energy: -0.000 local terms energy: -68.560399 where: bonds (distance) C4'-P energy: -9.932 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -15.755 flat angles P-C4'-P energy: -10.969 tors. eta vs tors. theta energy: -18.683 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: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -215.396480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.396480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.396480 (E_RNA) where: Base-Base interactions energy: -147.800 where: short stacking energy: -63.548 Base-Backbone interact. energy: -0.077 local terms energy: -67.520303 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -10.769 tors. eta vs tors. theta energy: -16.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -216.222204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.222204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.222204 (E_RNA) where: Base-Base interactions energy: -147.070 where: short stacking energy: -56.522 Base-Backbone interact. energy: -0.631 local terms energy: -68.521573 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -11.488 tors. eta vs tors. theta energy: -14.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -199.787453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.787453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.787453 (E_RNA) where: Base-Base interactions energy: -139.604 where: short stacking energy: -55.788 Base-Backbone interact. energy: 0.818 local terms energy: -61.001266 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -12.445 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: 395 Temperature: 1.150000 Total energy: -205.975622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.975622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.975622 (E_RNA) where: Base-Base interactions energy: -143.228 where: short stacking energy: -60.938 Base-Backbone interact. energy: -0.041 local terms energy: -62.707450 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -8.991 tors. eta vs tors. theta energy: -19.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -211.321030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.321030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.321030 (E_RNA) where: Base-Base interactions energy: -146.691 where: short stacking energy: -65.395 Base-Backbone interact. energy: -0.239 local terms energy: -64.391232 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -17.513 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: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -172.845608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.845608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.845608 (E_RNA) where: Base-Base interactions energy: -114.759 where: short stacking energy: -51.809 Base-Backbone interact. energy: -0.413 local terms energy: -57.673590 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -9.731 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -13.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -78.523971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.523971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.523971 (E_RNA) where: Base-Base interactions energy: -35.496 where: short stacking energy: -32.114 Base-Backbone interact. energy: 0.288 local terms energy: -43.316296 where: bonds (distance) C4'-P energy: -9.848 bonds (distance) P-C4' energy: -11.529 flat angles C4'-P-C4' energy: -11.022 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -6.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -85.830547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.830547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.830547 (E_RNA) where: Base-Base interactions energy: -35.355 where: short stacking energy: -35.355 Base-Backbone interact. energy: -0.046 local terms energy: -50.429236 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -10.342 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -220.882689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.882689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.882689 (E_RNA) where: Base-Base interactions energy: -147.090 where: short stacking energy: -65.084 Base-Backbone interact. energy: -0.001 local terms energy: -73.791719 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -12.706 tors. eta vs tors. theta energy: -18.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -220.829506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.829506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.829506 (E_RNA) where: Base-Base interactions energy: -151.042 where: short stacking energy: -69.219 Base-Backbone interact. energy: -0.122 local terms energy: -69.665035 where: bonds (distance) C4'-P energy: -10.863 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -10.999 tors. eta vs tors. theta energy: -20.273 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: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -220.724939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.724939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.724939 (E_RNA) where: Base-Base interactions energy: -150.644 where: short stacking energy: -61.652 Base-Backbone interact. energy: -0.338 local terms energy: -69.742719 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -14.035 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -16.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -211.259498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.259498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.259498 (E_RNA) where: Base-Base interactions energy: -149.416 where: short stacking energy: -60.873 Base-Backbone interact. energy: -0.035 local terms energy: -61.808599 where: bonds (distance) C4'-P energy: -10.179 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -15.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -204.679508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.679508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.679508 (E_RNA) where: Base-Base interactions energy: -140.950 where: short stacking energy: -63.111 Base-Backbone interact. energy: -0.085 local terms energy: -63.644537 where: bonds (distance) C4'-P energy: -11.494 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -17.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -212.207169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.207169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.207169 (E_RNA) where: Base-Base interactions energy: -144.311 where: short stacking energy: -64.181 Base-Backbone interact. energy: -0.419 local terms energy: -67.477318 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -13.759 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -14.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -195.045101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.045101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.045101 (E_RNA) where: Base-Base interactions energy: -136.330 where: short stacking energy: -56.793 Base-Backbone interact. energy: -0.780 local terms energy: -57.934559 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -14.777 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -11.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -195.403989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.403989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.403989 (E_RNA) where: Base-Base interactions energy: -132.903 where: short stacking energy: -56.559 Base-Backbone interact. energy: -0.093 local terms energy: -62.408515 where: bonds (distance) C4'-P energy: -9.702 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -14.971 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -17.154 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: 9, replica: 4 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -106.385171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.385171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.385171 (E_RNA) where: Base-Base interactions energy: -55.502 where: short stacking energy: -28.547 Base-Backbone interact. energy: -0.084 local terms energy: -50.798722 where: bonds (distance) C4'-P energy: -11.018 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -10.452 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -4.261 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: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -72.693427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.693427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.693427 (E_RNA) where: Base-Base interactions energy: -22.311 where: short stacking energy: -22.311 Base-Backbone interact. energy: -0.036 local terms energy: -50.346802 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -9.427 flat angles P-C4'-P energy: -11.441 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -220.453807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.453807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.453807 (E_RNA) where: Base-Base interactions energy: -155.009 where: short stacking energy: -56.371 Base-Backbone interact. energy: -0.103 local terms energy: -65.342556 where: bonds (distance) C4'-P energy: -15.732 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -220.805030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.805030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.805030 (E_RNA) where: Base-Base interactions energy: -149.436 where: short stacking energy: -65.697 Base-Backbone interact. energy: -0.590 local terms energy: -70.778413 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -16.270 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -17.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -217.058675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.058675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.058675 (E_RNA) where: Base-Base interactions energy: -147.444 where: short stacking energy: -63.919 Base-Backbone interact. energy: -0.019 local terms energy: -69.596324 where: bonds (distance) C4'-P energy: -12.102 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -15.904 flat angles P-C4'-P energy: -11.560 tors. eta vs tors. theta energy: -16.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -210.539423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.539423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.539423 (E_RNA) where: Base-Base interactions energy: -146.225 where: short stacking energy: -59.102 Base-Backbone interact. energy: -0.007 local terms energy: -64.307933 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -15.146 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -14.297 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: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -213.909204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.909204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.909204 (E_RNA) where: Base-Base interactions energy: -143.565 where: short stacking energy: -61.418 Base-Backbone interact. energy: -0.072 local terms energy: -70.271672 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -10.748 tors. eta vs tors. theta energy: -17.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -210.888860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.888860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.888860 (E_RNA) where: Base-Base interactions energy: -144.406 where: short stacking energy: -58.697 Base-Backbone interact. energy: -0.183 local terms energy: -66.299869 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -15.422 flat angles P-C4'-P energy: -11.643 tors. eta vs tors. theta energy: -11.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -203.021755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.021755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.021755 (E_RNA) where: Base-Base interactions energy: -135.838 where: short stacking energy: -56.305 Base-Backbone interact. energy: -0.239 local terms energy: -66.945393 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -18.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -202.858384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.858384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.858384 (E_RNA) where: Base-Base interactions energy: -139.077 where: short stacking energy: -59.760 Base-Backbone interact. energy: -0.231 local terms energy: -63.550757 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -10.519 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -17.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -108.558098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.558098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.558098 (E_RNA) where: Base-Base interactions energy: -53.478 where: short stacking energy: -32.655 Base-Backbone interact. energy: 0.130 local terms energy: -55.210393 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -8.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -69.121614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.121614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.121614 (E_RNA) where: Base-Base interactions energy: -36.865 where: short stacking energy: -12.313 Base-Backbone interact. energy: -0.722 local terms energy: -31.534808 where: bonds (distance) C4'-P energy: -8.736 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: 1.329 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: 398 Temperature: 0.900000 Total energy: -219.039063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.039063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.039063 (E_RNA) where: Base-Base interactions energy: -154.162 where: short stacking energy: -64.981 Base-Backbone interact. energy: -0.598 local terms energy: -64.279173 where: bonds (distance) C4'-P energy: -11.923 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -9.662 tors. eta vs tors. theta energy: -16.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -222.307021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.307021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.307021 (E_RNA) where: Base-Base interactions energy: -148.072 where: short stacking energy: -64.785 Base-Backbone interact. energy: -0.004 local terms energy: -74.231300 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -16.061 flat angles C4'-P-C4' energy: -13.887 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -19.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -215.058481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.058481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.058481 (E_RNA) where: Base-Base interactions energy: -149.867 where: short stacking energy: -65.678 Base-Backbone interact. energy: -0.163 local terms energy: -65.029076 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -15.931 flat angles P-C4'-P energy: -11.390 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -215.661147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.661147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.661147 (E_RNA) where: Base-Base interactions energy: -145.632 where: short stacking energy: -65.690 Base-Backbone interact. energy: -0.062 local terms energy: -69.966455 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -11.096 flat angles C4'-P-C4' energy: -13.664 flat angles P-C4'-P energy: -11.909 tors. eta vs tors. theta energy: -20.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -205.661212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.661212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.661212 (E_RNA) where: Base-Base interactions energy: -144.310 where: short stacking energy: -61.999 Base-Backbone interact. energy: -0.095 local terms energy: -61.255816 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -18.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -203.844440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.844440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.844440 (E_RNA) where: Base-Base interactions energy: -143.810 where: short stacking energy: -63.750 Base-Backbone interact. energy: 0.977 local terms energy: -61.011109 where: bonds (distance) C4'-P energy: -7.512 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -12.741 tors. eta vs tors. theta energy: -20.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -201.225151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.225151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.225151 (E_RNA) where: Base-Base interactions energy: -138.579 where: short stacking energy: -55.664 Base-Backbone interact. energy: -0.019 local terms energy: -62.627539 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -17.183 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: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -171.235495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.235495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.235495 (E_RNA) where: Base-Base interactions energy: -116.297 where: short stacking energy: -48.835 Base-Backbone interact. energy: -0.027 local terms energy: -54.912425 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -7.890 flat angles C4'-P-C4' energy: -12.228 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -11.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -85.369713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.369713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.369713 (E_RNA) where: Base-Base interactions energy: -31.745 where: short stacking energy: -26.973 Base-Backbone interact. energy: -0.102 local terms energy: -53.522491 where: bonds (distance) C4'-P energy: -12.374 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -9.651 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -8.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -71.113156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.113156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.113156 (E_RNA) where: Base-Base interactions energy: -27.002 where: short stacking energy: -27.002 Base-Backbone interact. energy: -0.115 local terms energy: -43.996793 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -220.833738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.833738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.833738 (E_RNA) where: Base-Base interactions energy: -148.710 where: short stacking energy: -68.535 Base-Backbone interact. energy: 0.340 local terms energy: -72.463341 where: bonds (distance) C4'-P energy: -13.881 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -14.371 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -20.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -210.578676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.578676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.578676 (E_RNA) where: Base-Base interactions energy: -144.566 where: short stacking energy: -59.341 Base-Backbone interact. energy: 1.504 local terms energy: -67.515833 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -10.591 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -18.338 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: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -218.359737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.359737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.359737 (E_RNA) where: Base-Base interactions energy: -152.245 where: short stacking energy: -67.615 Base-Backbone interact. energy: -0.088 local terms energy: -66.026955 where: bonds (distance) C4'-P energy: -12.897 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -10.304 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -18.305 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: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -208.240571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.240571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.240571 (E_RNA) where: Base-Base interactions energy: -144.686 where: short stacking energy: -68.242 Base-Backbone interact. energy: -0.043 local terms energy: -63.511204 where: bonds (distance) C4'-P energy: -14.118 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -12.675 tors. eta vs tors. theta energy: -16.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -207.272846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.272846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.272846 (E_RNA) where: Base-Base interactions energy: -145.333 where: short stacking energy: -61.128 Base-Backbone interact. energy: -0.022 local terms energy: -61.917523 where: bonds (distance) C4'-P energy: -5.784 bonds (distance) P-C4' energy: -12.611 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -11.406 tors. eta vs tors. theta energy: -19.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -203.784435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.784435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.784435 (E_RNA) where: Base-Base interactions energy: -136.304 where: short stacking energy: -56.295 Base-Backbone interact. energy: -0.084 local terms energy: -67.396416 where: bonds (distance) C4'-P energy: -15.145 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -13.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -201.353930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.353930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.353930 (E_RNA) where: Base-Base interactions energy: -132.092 where: short stacking energy: -59.459 Base-Backbone interact. energy: -0.007 local terms energy: -69.254898 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -16.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -167.921656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.921656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.921656 (E_RNA) where: Base-Base interactions energy: -107.661 where: short stacking energy: -53.667 Base-Backbone interact. energy: -0.024 local terms energy: -60.237495 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -14.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -75.080508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.080508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.080508 (E_RNA) where: Base-Base interactions energy: -25.823 where: short stacking energy: -25.823 Base-Backbone interact. energy: 0.406 local terms energy: -49.663484 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -14.451 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -10.769 tors. eta vs tors. theta energy: -2.439 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: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -71.483312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.483312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.483312 (E_RNA) where: Base-Base interactions energy: -26.416 where: short stacking energy: -23.056 Base-Backbone interact. energy: -0.093 local terms energy: -44.973762 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -14.733 flat angles C4'-P-C4' energy: -10.853 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -220.711790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.711790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.711790 (E_RNA) where: Base-Base interactions energy: -140.967 where: short stacking energy: -63.545 Base-Backbone interact. energy: -0.366 local terms energy: -79.378788 where: bonds (distance) C4'-P energy: -14.378 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -15.460 flat angles P-C4'-P energy: -12.066 tors. eta vs tors. theta energy: -20.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -217.152284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.152284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.152284 (E_RNA) where: Base-Base interactions energy: -144.890 where: short stacking energy: -59.586 Base-Backbone interact. energy: -0.616 local terms energy: -71.646709 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -13.809 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -9.781 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: 3, replica: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -208.341666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.341666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.341666 (E_RNA) where: Base-Base interactions energy: -144.370 where: short stacking energy: -57.489 Base-Backbone interact. energy: -0.078 local terms energy: -63.893352 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -11.648 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -12.643 tors. eta vs tors. theta energy: -12.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -208.240570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.240570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.240570 (E_RNA) where: Base-Base interactions energy: -141.056 where: short stacking energy: -66.061 Base-Backbone interact. energy: 0.844 local terms energy: -68.028032 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -7.435 tors. eta vs tors. theta energy: -17.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -209.760354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.760354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.760354 (E_RNA) where: Base-Base interactions energy: -148.457 where: short stacking energy: -67.965 Base-Backbone interact. energy: -0.810 local terms energy: -60.493305 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -13.154 flat angles P-C4'-P energy: -8.342 tors. eta vs tors. theta energy: -19.057 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: 400 Temperature: 1.150000 Total energy: -198.987981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.987981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.987981 (E_RNA) where: Base-Base interactions energy: -130.609 where: short stacking energy: -60.278 Base-Backbone interact. energy: -0.173 local terms energy: -68.205490 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -11.904 tors. eta vs tors. theta energy: -16.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -198.040158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.040158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.040158 (E_RNA) where: Base-Base interactions energy: -141.234 where: short stacking energy: -59.742 Base-Backbone interact. energy: -0.051 local terms energy: -56.755633 where: bonds (distance) C4'-P energy: -10.197 bonds (distance) P-C4' energy: -10.245 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -18.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -164.241079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.241079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.241079 (E_RNA) where: Base-Base interactions energy: -112.829 where: short stacking energy: -54.745 Base-Backbone interact. energy: -0.110 local terms energy: -51.301711 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -11.198 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -12.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -79.724490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.724490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.724490 (E_RNA) where: Base-Base interactions energy: -30.282 where: short stacking energy: -26.042 Base-Backbone interact. energy: -0.092 local terms energy: -49.350318 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -75.151891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.151891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.151891 (E_RNA) where: Base-Base interactions energy: -32.429 where: short stacking energy: -31.508 Base-Backbone interact. energy: -0.008 local terms energy: -42.715214 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -10.534 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -223.556471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.556471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.556471 (E_RNA) where: Base-Base interactions energy: -143.711 where: short stacking energy: -67.934 Base-Backbone interact. energy: -0.321 local terms energy: -79.524875 where: bonds (distance) C4'-P energy: -15.952 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -13.924 tors. eta vs tors. theta energy: -19.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -210.497916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.497916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.497916 (E_RNA) where: Base-Base interactions energy: -139.410 where: short stacking energy: -52.840 Base-Backbone interact. energy: -0.222 local terms energy: -70.865988 where: bonds (distance) C4'-P energy: -16.175 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -13.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -211.831529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.831529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.831529 (E_RNA) where: Base-Base interactions energy: -144.197 where: short stacking energy: -68.181 Base-Backbone interact. energy: -0.058 local terms energy: -67.575909 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -12.826 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -19.259 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: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -214.141648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.141648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.141648 (E_RNA) where: Base-Base interactions energy: -143.080 where: short stacking energy: -67.825 Base-Backbone interact. energy: -0.024 local terms energy: -71.038047 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -15.095 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -19.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -210.256850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.256850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.256850 (E_RNA) where: Base-Base interactions energy: -138.621 where: short stacking energy: -63.615 Base-Backbone interact. energy: -0.221 local terms energy: -71.415291 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -11.053 tors. eta vs tors. theta energy: -17.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -196.805773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.805773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.805773 (E_RNA) where: Base-Base interactions energy: -135.445 where: short stacking energy: -57.238 Base-Backbone interact. energy: -0.072 local terms energy: -61.288427 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -13.263 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -10.845 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: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -193.309413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.309413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.309413 (E_RNA) where: Base-Base interactions energy: -132.234 where: short stacking energy: -53.596 Base-Backbone interact. energy: -0.007 local terms energy: -61.068444 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -9.063 tors. eta vs tors. theta energy: -15.175 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: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -148.581380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.581380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.581380 (E_RNA) where: Base-Base interactions energy: -90.440 where: short stacking energy: -45.798 Base-Backbone interact. energy: -0.421 local terms energy: -57.720196 where: bonds (distance) C4'-P energy: -16.638 bonds (distance) P-C4' energy: -13.108 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -7.481 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: 4 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -87.718518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.718518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.718518 (E_RNA) where: Base-Base interactions energy: -34.917 where: short stacking energy: -34.917 Base-Backbone interact. energy: -0.124 local terms energy: -52.677168 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -11.058 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -7.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -73.613126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.613126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.613126 (E_RNA) where: Base-Base interactions energy: -28.969 where: short stacking energy: -26.019 Base-Backbone interact. energy: -0.247 local terms energy: -44.397053 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -217.577577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.577577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.577577 (E_RNA) where: Base-Base interactions energy: -150.681 where: short stacking energy: -66.340 Base-Backbone interact. energy: -0.588 local terms energy: -66.308968 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -20.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -224.778341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.778341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.778341 (E_RNA) where: Base-Base interactions energy: -151.148 where: short stacking energy: -70.440 Base-Backbone interact. energy: -0.000 local terms energy: -73.629786 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -11.442 flat angles C4'-P-C4' energy: -17.088 flat angles P-C4'-P energy: -12.701 tors. eta vs tors. theta energy: -19.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -211.128834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.128834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.128834 (E_RNA) where: Base-Base interactions energy: -144.949 where: short stacking energy: -64.345 Base-Backbone interact. energy: -0.092 local terms energy: -66.088370 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -15.773 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -16.135 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: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -211.950640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.950640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.950640 (E_RNA) where: Base-Base interactions energy: -140.208 where: short stacking energy: -61.205 Base-Backbone interact. energy: -0.402 local terms energy: -71.340923 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -15.224 flat angles P-C4'-P energy: -12.334 tors. eta vs tors. theta energy: -18.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -209.622937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.622937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.622937 (E_RNA) where: Base-Base interactions energy: -150.005 where: short stacking energy: -69.799 Base-Backbone interact. energy: -0.755 local terms energy: -58.863613 where: bonds (distance) C4'-P energy: -9.427 bonds (distance) P-C4' energy: -9.362 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -17.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -198.560862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.560862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.560862 (E_RNA) where: Base-Base interactions energy: -141.966 where: short stacking energy: -58.808 Base-Backbone interact. energy: -0.638 local terms energy: -55.957450 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -12.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -198.449379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.449379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.449379 (E_RNA) where: Base-Base interactions energy: -131.742 where: short stacking energy: -54.354 Base-Backbone interact. energy: -0.070 local terms energy: -66.638200 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -9.695 tors. eta vs tors. theta energy: -17.043 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: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -153.160084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.160084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.160084 (E_RNA) where: Base-Base interactions energy: -102.406 where: short stacking energy: -42.745 Base-Backbone interact. energy: -0.085 local terms energy: -50.668975 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -8.329 flat angles C4'-P-C4' energy: -13.243 flat angles P-C4'-P energy: -7.746 tors. eta vs tors. theta energy: -8.612 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: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -86.860877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.860877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.860877 (E_RNA) where: Base-Base interactions energy: -39.933 where: short stacking energy: -26.259 Base-Backbone interact. energy: -0.334 local terms energy: -46.593239 where: bonds (distance) C4'-P energy: -9.419 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -10.022 flat angles P-C4'-P energy: -8.413 tors. eta vs tors. theta energy: -2.329 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: 402 Temperature: 1.350000 Total energy: -84.108839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.108839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.108839 (E_RNA) where: Base-Base interactions energy: -39.216 where: short stacking energy: -30.545 Base-Backbone interact. energy: -0.002 local terms energy: -44.890702 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -9.793 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -7.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -221.179922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.179922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.179922 (E_RNA) where: Base-Base interactions energy: -145.490 where: short stacking energy: -61.181 Base-Backbone interact. energy: -2.941 local terms energy: -72.749118 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -15.225 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -17.398 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: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -222.104871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.104871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.104871 (E_RNA) where: Base-Base interactions energy: -150.537 where: short stacking energy: -67.260 Base-Backbone interact. energy: -0.252 local terms energy: -71.316028 where: bonds (distance) C4'-P energy: -16.307 bonds (distance) P-C4' energy: -9.857 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -11.139 tors. eta vs tors. theta energy: -20.715 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: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -209.344833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.344833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.344833 (E_RNA) where: Base-Base interactions energy: -140.322 where: short stacking energy: -58.550 Base-Backbone interact. energy: -0.002 local terms energy: -69.020804 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -12.724 tors. eta vs tors. theta energy: -16.344 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: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -208.021778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.021778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.021778 (E_RNA) where: Base-Base interactions energy: -136.669 where: short stacking energy: -57.327 Base-Backbone interact. energy: -0.195 local terms energy: -71.158337 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -13.642 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -15.783 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: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -213.273038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.273038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.273038 (E_RNA) where: Base-Base interactions energy: -150.835 where: short stacking energy: -62.167 Base-Backbone interact. energy: -0.946 local terms energy: -61.492055 where: bonds (distance) C4'-P energy: -11.604 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -10.319 tors. eta vs tors. theta energy: -16.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -204.499801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.499801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.499801 (E_RNA) where: Base-Base interactions energy: -137.402 where: short stacking energy: -63.093 Base-Backbone interact. energy: -0.009 local terms energy: -67.088835 where: bonds (distance) C4'-P energy: -8.578 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -10.106 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: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -191.561646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.561646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.561646 (E_RNA) where: Base-Base interactions energy: -131.867 where: short stacking energy: -57.869 Base-Backbone interact. energy: -0.142 local terms energy: -59.553538 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -13.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -160.618435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.618435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.618435 (E_RNA) where: Base-Base interactions energy: -106.356 where: short stacking energy: -40.568 Base-Backbone interact. energy: -0.302 local terms energy: -53.960887 where: bonds (distance) C4'-P energy: -12.044 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -121.674566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.674566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.674566 (E_RNA) where: Base-Base interactions energy: -68.621 where: short stacking energy: -43.127 Base-Backbone interact. energy: -0.022 local terms energy: -53.031334 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -10.797 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -9.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -72.436734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.436734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.436734 (E_RNA) where: Base-Base interactions energy: -28.798 where: short stacking energy: -28.798 Base-Backbone interact. energy: -0.067 local terms energy: -43.572094 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -16.267 flat angles C4'-P-C4' energy: -9.397 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -3.774 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: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -221.727656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.727656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.727656 (E_RNA) where: Base-Base interactions energy: -148.024 where: short stacking energy: -67.422 Base-Backbone interact. energy: -0.003 local terms energy: -73.700098 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -15.489 flat angles P-C4'-P energy: -11.135 tors. eta vs tors. theta energy: -20.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -218.401528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.401528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.401528 (E_RNA) where: Base-Base interactions energy: -148.197 where: short stacking energy: -60.756 Base-Backbone interact. energy: -0.020 local terms energy: -70.184661 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -15.679 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -17.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -225.871650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.871650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.871650 (E_RNA) where: Base-Base interactions energy: -151.941 where: short stacking energy: -65.217 Base-Backbone interact. energy: -0.075 local terms energy: -73.855385 where: bonds (distance) C4'-P energy: -15.575 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -19.173 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: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -213.172774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.172774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.172774 (E_RNA) where: Base-Base interactions energy: -141.519 where: short stacking energy: -65.102 Base-Backbone interact. energy: -0.238 local terms energy: -71.415182 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -14.233 flat angles C4'-P-C4' energy: -13.017 flat angles P-C4'-P energy: -12.809 tors. eta vs tors. theta energy: -18.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -208.372451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.372451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.372451 (E_RNA) where: Base-Base interactions energy: -137.640 where: short stacking energy: -62.973 Base-Backbone interact. energy: -0.129 local terms energy: -70.603254 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -10.215 tors. eta vs tors. theta energy: -18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -198.542426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.542426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.542426 (E_RNA) where: Base-Base interactions energy: -131.776 where: short stacking energy: -53.461 Base-Backbone interact. energy: -0.156 local terms energy: -66.610744 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -14.471 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -15.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -188.336603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.336603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.336603 (E_RNA) where: Base-Base interactions energy: -132.797 where: short stacking energy: -47.160 Base-Backbone interact. energy: -0.167 local terms energy: -55.372203 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -7.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -191.266285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.266285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.266285 (E_RNA) where: Base-Base interactions energy: -133.241 where: short stacking energy: -60.305 Base-Backbone interact. energy: -0.998 local terms energy: -57.027229 where: bonds (distance) C4'-P energy: -8.512 bonds (distance) P-C4' energy: -10.092 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -6.200 tors. eta vs tors. theta energy: -17.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -82.688726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.688726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.688726 (E_RNA) where: Base-Base interactions energy: -32.457 where: short stacking energy: -29.278 Base-Backbone interact. energy: -0.031 local terms energy: -50.200886 where: bonds (distance) C4'-P energy: -11.353 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -4.893 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: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -115.998862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.998862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.998862 (E_RNA) where: Base-Base interactions energy: -66.882 where: short stacking energy: -36.286 Base-Backbone interact. energy: -0.762 local terms energy: -48.354616 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -13.632 flat angles C4'-P-C4' energy: -11.672 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -221.440059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.440059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.440059 (E_RNA) where: Base-Base interactions energy: -148.513 where: short stacking energy: -64.332 Base-Backbone interact. energy: 0.212 local terms energy: -73.138698 where: bonds (distance) C4'-P energy: -16.560 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -15.716 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -20.605 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: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -220.434854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.434854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.434854 (E_RNA) where: Base-Base interactions energy: -148.890 where: short stacking energy: -66.280 Base-Backbone interact. energy: -0.070 local terms energy: -71.474251 where: bonds (distance) C4'-P energy: -13.849 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -13.890 flat angles P-C4'-P energy: -11.008 tors. eta vs tors. theta energy: -17.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -220.642104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.642104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.642104 (E_RNA) where: Base-Base interactions energy: -149.748 where: short stacking energy: -67.912 Base-Backbone interact. energy: -1.171 local terms energy: -69.723979 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -14.679 flat angles C4'-P-C4' energy: -15.084 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -17.806 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: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -208.006231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.006231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.006231 (E_RNA) where: Base-Base interactions energy: -140.550 where: short stacking energy: -60.650 Base-Backbone interact. energy: -0.068 local terms energy: -67.388162 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -12.237 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -17.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -207.273964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.273964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.273964 (E_RNA) where: Base-Base interactions energy: -137.406 where: short stacking energy: -62.486 Base-Backbone interact. energy: -0.591 local terms energy: -69.276654 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -18.691 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: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -198.883081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.883081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.883081 (E_RNA) where: Base-Base interactions energy: -143.841 where: short stacking energy: -59.522 Base-Backbone interact. energy: -0.778 local terms energy: -54.264288 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -10.004 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -13.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -196.613621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.613621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.613621 (E_RNA) where: Base-Base interactions energy: -136.799 where: short stacking energy: -57.065 Base-Backbone interact. energy: -0.034 local terms energy: -59.780394 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -15.675 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -13.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -188.109454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.109454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.109454 (E_RNA) where: Base-Base interactions energy: -130.237 where: short stacking energy: -53.006 Base-Backbone interact. energy: -0.138 local terms energy: -57.734333 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -7.898 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -13.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -72.663947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.663947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.663947 (E_RNA) where: Base-Base interactions energy: -27.896 where: short stacking energy: -27.896 Base-Backbone interact. energy: -0.010 local terms energy: -44.758035 where: bonds (distance) C4'-P energy: -11.281 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -97.644557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.644557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.644557 (E_RNA) where: Base-Base interactions energy: -50.655 where: short stacking energy: -24.944 Base-Backbone interact. energy: 0.014 local terms energy: -47.003185 where: bonds (distance) C4'-P energy: -9.599 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: 0.178 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: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -219.199245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.199245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.199245 (E_RNA) where: Base-Base interactions energy: -143.024 where: short stacking energy: -67.701 Base-Backbone interact. energy: -0.087 local terms energy: -76.087657 where: bonds (distance) C4'-P energy: -15.286 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -12.066 tors. eta vs tors. theta energy: -19.913 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: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -216.626525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.626525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.626525 (E_RNA) where: Base-Base interactions energy: -152.210 where: short stacking energy: -64.989 Base-Backbone interact. energy: -0.015 local terms energy: -64.401620 where: bonds (distance) C4'-P energy: -11.684 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.831 flat angles P-C4'-P energy: -7.968 tors. eta vs tors. theta energy: -17.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -212.343417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.343417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.343417 (E_RNA) where: Base-Base interactions energy: -142.664 where: short stacking energy: -62.625 Base-Backbone interact. energy: -0.677 local terms energy: -69.002523 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -10.444 tors. eta vs tors. theta energy: -18.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -208.168328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.168328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.168328 (E_RNA) where: Base-Base interactions energy: -142.883 where: short stacking energy: -61.096 Base-Backbone interact. energy: -0.256 local terms energy: -65.029613 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -11.658 flat angles C4'-P-C4' energy: -13.493 flat angles P-C4'-P energy: -10.988 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: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -198.573558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.573558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.573558 (E_RNA) where: Base-Base interactions energy: -134.916 where: short stacking energy: -62.405 Base-Backbone interact. energy: -0.315 local terms energy: -63.342393 where: bonds (distance) C4'-P energy: -11.315 bonds (distance) P-C4' energy: -13.273 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -8.089 tors. eta vs tors. theta energy: -16.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -181.657382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.657382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.657382 (E_RNA) where: Base-Base interactions energy: -128.120 where: short stacking energy: -52.650 Base-Backbone interact. energy: -0.596 local terms energy: -52.941621 where: bonds (distance) C4'-P energy: -10.682 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -198.189902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.189902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.189902 (E_RNA) where: Base-Base interactions energy: -131.347 where: short stacking energy: -59.068 Base-Backbone interact. energy: -0.831 local terms energy: -66.012678 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -16.367 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: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -189.601219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.601219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.601219 (E_RNA) where: Base-Base interactions energy: -131.097 where: short stacking energy: -54.888 Base-Backbone interact. energy: -0.166 local terms energy: -58.338898 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -11.197 flat angles C4'-P-C4' energy: -8.967 flat angles P-C4'-P energy: -9.215 tors. eta vs tors. theta energy: -14.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -73.505678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.505678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.505678 (E_RNA) where: Base-Base interactions energy: -30.359 where: short stacking energy: -12.386 Base-Backbone interact. energy: -0.381 local terms energy: -42.766528 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -8.112 tors. eta vs tors. theta energy: 4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -70.260181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.260181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.260181 (E_RNA) where: Base-Base interactions energy: -36.708 where: short stacking energy: -21.149 Base-Backbone interact. energy: -0.362 local terms energy: -33.190898 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -10.261 flat angles C4'-P-C4' energy: -8.295 flat angles P-C4'-P energy: -7.535 tors. eta vs tors. theta energy: -0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -220.830308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.830308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.830308 (E_RNA) where: Base-Base interactions energy: -154.535 where: short stacking energy: -67.205 Base-Backbone interact. energy: -0.644 local terms energy: -65.651195 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -9.560 flat angles P-C4'-P energy: -10.898 tors. eta vs tors. theta energy: -16.750 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: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -218.522278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.522278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.522278 (E_RNA) where: Base-Base interactions energy: -147.630 where: short stacking energy: -67.517 Base-Backbone interact. energy: -0.048 local terms energy: -70.844442 where: bonds (distance) C4'-P energy: -12.180 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -19.297 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: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -215.021915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.021915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.021915 (E_RNA) where: Base-Base interactions energy: -146.900 where: short stacking energy: -66.830 Base-Backbone interact. energy: -0.014 local terms energy: -68.108292 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -12.280 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -18.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -214.981968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.981968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.981968 (E_RNA) where: Base-Base interactions energy: -144.982 where: short stacking energy: -65.696 Base-Backbone interact. energy: -0.070 local terms energy: -69.930078 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -15.823 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -18.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -207.767403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.767403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.767403 (E_RNA) where: Base-Base interactions energy: -144.423 where: short stacking energy: -60.665 Base-Backbone interact. energy: -0.105 local terms energy: -63.240169 where: bonds (distance) C4'-P energy: -14.165 bonds (distance) P-C4' energy: -9.955 flat angles C4'-P-C4' energy: -13.713 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -18.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -208.268946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.268946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.268946 (E_RNA) where: Base-Base interactions energy: -146.618 where: short stacking energy: -63.567 Base-Backbone interact. energy: -0.012 local terms energy: -61.638996 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -9.904 tors. eta vs tors. theta energy: -16.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -171.645772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.645772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.645772 (E_RNA) where: Base-Base interactions energy: -117.137 where: short stacking energy: -60.626 Base-Backbone interact. energy: -0.592 local terms energy: -53.916092 where: bonds (distance) C4'-P energy: -9.653 bonds (distance) P-C4' energy: -6.733 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -11.520 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: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -193.777559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.777559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.777559 (E_RNA) where: Base-Base interactions energy: -133.430 where: short stacking energy: -52.850 Base-Backbone interact. energy: -0.001 local terms energy: -60.347020 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -11.998 flat angles C4'-P-C4' energy: -12.491 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -13.917 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: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -82.865903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.865903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.865903 (E_RNA) where: Base-Base interactions energy: -37.983 where: short stacking energy: -35.899 Base-Backbone interact. energy: 0.278 local terms energy: -45.160983 where: bonds (distance) C4'-P energy: -9.228 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -10.746 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -83.099158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.099158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.099158 (E_RNA) where: Base-Base interactions energy: -38.709 where: short stacking energy: -27.223 Base-Backbone interact. energy: -0.522 local terms energy: -43.868078 where: bonds (distance) C4'-P energy: -9.944 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -10.528 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -218.101907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.101907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.101907 (E_RNA) where: Base-Base interactions energy: -146.853 where: short stacking energy: -61.965 Base-Backbone interact. energy: -0.031 local terms energy: -71.217704 where: bonds (distance) C4'-P energy: -14.516 bonds (distance) P-C4' energy: -11.509 flat angles C4'-P-C4' energy: -15.677 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -19.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -214.301410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.301410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.301410 (E_RNA) where: Base-Base interactions energy: -145.944 where: short stacking energy: -63.706 Base-Backbone interact. energy: -0.053 local terms energy: -68.304935 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -18.616 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: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -210.964628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.964628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.964628 (E_RNA) where: Base-Base interactions energy: -135.996 where: short stacking energy: -57.745 Base-Backbone interact. energy: -0.586 local terms energy: -74.382253 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -14.628 flat angles P-C4'-P energy: -11.098 tors. eta vs tors. theta energy: -17.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -211.604606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.604606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.604606 (E_RNA) where: Base-Base interactions energy: -139.910 where: short stacking energy: -58.173 Base-Backbone interact. energy: -0.001 local terms energy: -71.694247 where: bonds (distance) C4'-P energy: -14.065 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -16.109 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -16.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -205.765060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.765060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.765060 (E_RNA) where: Base-Base interactions energy: -147.681 where: short stacking energy: -69.548 Base-Backbone interact. energy: -0.004 local terms energy: -58.080587 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -8.158 flat angles C4'-P-C4' energy: -12.234 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -19.632 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: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -217.423858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.423858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.423858 (E_RNA) where: Base-Base interactions energy: -146.653 where: short stacking energy: -66.352 Base-Backbone interact. energy: -0.014 local terms energy: -70.757145 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -11.636 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -185.266052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.266052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.266052 (E_RNA) where: Base-Base interactions energy: -129.715 where: short stacking energy: -51.268 Base-Backbone interact. energy: -0.026 local terms energy: -55.525598 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -8.530 tors. eta vs tors. theta energy: -11.239 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: 10 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -164.298487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.298487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.298487 (E_RNA) where: Base-Base interactions energy: -105.675 where: short stacking energy: -36.213 Base-Backbone interact. energy: -0.134 local terms energy: -58.489888 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -7.706 tors. eta vs tors. theta energy: -12.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -77.632272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.632272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.632272 (E_RNA) where: Base-Base interactions energy: -26.832 where: short stacking energy: -26.098 Base-Backbone interact. energy: -0.169 local terms energy: -50.631471 where: bonds (distance) C4'-P energy: -16.568 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -12.822 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -72.029704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.029704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.029704 (E_RNA) where: Base-Base interactions energy: -30.329 where: short stacking energy: -30.329 Base-Backbone interact. energy: -0.011 local terms energy: -41.689697 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -7.189 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -3.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -223.071402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.071402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.071402 (E_RNA) where: Base-Base interactions energy: -147.683 where: short stacking energy: -64.506 Base-Backbone interact. energy: -0.012 local terms energy: -75.376985 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -16.347 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -11.439 tors. eta vs tors. theta energy: -19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -216.129454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.129454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.129454 (E_RNA) where: Base-Base interactions energy: -143.019 where: short stacking energy: -64.045 Base-Backbone interact. energy: -0.000 local terms energy: -73.109946 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -13.593 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -11.200 tors. eta vs tors. theta energy: -18.342 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: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -200.416177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.416177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.416177 (E_RNA) where: Base-Base interactions energy: -139.233 where: short stacking energy: -53.670 Base-Backbone interact. energy: -0.005 local terms energy: -61.178112 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -12.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -199.129170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.129170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.129170 (E_RNA) where: Base-Base interactions energy: -132.731 where: short stacking energy: -56.892 Base-Backbone interact. energy: -0.028 local terms energy: -66.369965 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -16.607 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -16.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -208.856582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.856582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.856582 (E_RNA) where: Base-Base interactions energy: -140.127 where: short stacking energy: -64.054 Base-Backbone interact. energy: -0.155 local terms energy: -68.574078 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -12.967 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -9.713 tors. eta vs tors. theta energy: -21.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -209.422784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.422784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.422784 (E_RNA) where: Base-Base interactions energy: -137.131 where: short stacking energy: -61.664 Base-Backbone interact. energy: -0.788 local terms energy: -71.504321 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -17.240 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: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -190.832027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.832027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.832027 (E_RNA) where: Base-Base interactions energy: -131.659 where: short stacking energy: -56.408 Base-Backbone interact. energy: -0.069 local terms energy: -59.103175 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -16.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -189.496449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.496449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.496449 (E_RNA) where: Base-Base interactions energy: -124.815 where: short stacking energy: -55.541 Base-Backbone interact. energy: 0.146 local terms energy: -64.827777 where: bonds (distance) C4'-P energy: -12.482 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -14.098 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: 4 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -71.868600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.868600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.868600 (E_RNA) where: Base-Base interactions energy: -25.698 where: short stacking energy: -25.698 Base-Backbone interact. energy: 0.948 local terms energy: -47.118288 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: 1.704 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: 409 Temperature: 1.350000 Total energy: -66.588320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.588320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.588320 (E_RNA) where: Base-Base interactions energy: -23.310 where: short stacking energy: -23.310 Base-Backbone interact. energy: -0.622 local terms energy: -42.656437 where: bonds (distance) C4'-P energy: -12.805 bonds (distance) P-C4' energy: -13.065 flat angles C4'-P-C4' energy: -9.721 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: 0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -222.650280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.650280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.650280 (E_RNA) where: Base-Base interactions energy: -145.463 where: short stacking energy: -66.117 Base-Backbone interact. energy: -0.029 local terms energy: -77.157580 where: bonds (distance) C4'-P energy: -14.904 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -12.791 tors. eta vs tors. theta energy: -20.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -209.902063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.902063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.902063 (E_RNA) where: Base-Base interactions energy: -141.171 where: short stacking energy: -59.038 Base-Backbone interact. energy: -0.232 local terms energy: -68.498978 where: bonds (distance) C4'-P energy: -15.000 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -16.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -215.265885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.265885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.265885 (E_RNA) where: Base-Base interactions energy: -149.321 where: short stacking energy: -68.072 Base-Backbone interact. energy: -1.192 local terms energy: -64.752866 where: bonds (distance) C4'-P energy: -10.984 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -19.973 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: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -215.372069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.372069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.372069 (E_RNA) where: Base-Base interactions energy: -146.508 where: short stacking energy: -62.227 Base-Backbone interact. energy: -0.094 local terms energy: -68.770008 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -204.191931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.191931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.191931 (E_RNA) where: Base-Base interactions energy: -138.467 where: short stacking energy: -56.294 Base-Backbone interact. energy: -0.369 local terms energy: -65.356572 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -14.386 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -9.882 tors. eta vs tors. theta energy: -14.099 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: 3 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -202.006540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.006540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.006540 (E_RNA) where: Base-Base interactions energy: -135.913 where: short stacking energy: -54.551 Base-Backbone interact. energy: -0.011 local terms energy: -66.083027 where: bonds (distance) C4'-P energy: -12.980 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -10.585 tors. eta vs tors. theta energy: -14.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -204.459965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.459965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.459965 (E_RNA) where: Base-Base interactions energy: -147.078 where: short stacking energy: -63.132 Base-Backbone interact. energy: -0.085 local terms energy: -57.296622 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -7.965 tors. eta vs tors. theta energy: -19.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -186.165840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.165840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.165840 (E_RNA) where: Base-Base interactions energy: -133.650 where: short stacking energy: -54.703 Base-Backbone interact. energy: -0.101 local terms energy: -52.414848 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -9.981 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -14.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -74.599543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.599543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.599543 (E_RNA) where: Base-Base interactions energy: -25.066 where: short stacking energy: -25.066 Base-Backbone interact. energy: -0.216 local terms energy: -49.318249 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -12.853 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: 0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -72.632143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.632143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.632143 (E_RNA) where: Base-Base interactions energy: -25.492 where: short stacking energy: -25.492 Base-Backbone interact. energy: -0.205 local terms energy: -46.935744 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -0.907 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: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -226.857948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.857948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.857948 (E_RNA) where: Base-Base interactions energy: -156.022 where: short stacking energy: -69.723 Base-Backbone interact. energy: -0.872 local terms energy: -69.963216 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -19.884 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: 9 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -219.799511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.799511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.799511 (E_RNA) where: Base-Base interactions energy: -148.221 where: short stacking energy: -63.095 Base-Backbone interact. energy: -0.724 local terms energy: -70.854277 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -12.947 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -8.184 tors. eta vs tors. theta energy: -19.604 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: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -213.260235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.260235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.260235 (E_RNA) where: Base-Base interactions energy: -147.662 where: short stacking energy: -64.654 Base-Backbone interact. energy: -0.126 local terms energy: -65.472514 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -11.101 tors. eta vs tors. theta energy: -18.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -210.988942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.988942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.988942 (E_RNA) where: Base-Base interactions energy: -142.349 where: short stacking energy: -58.387 Base-Backbone interact. energy: -0.036 local terms energy: -68.603591 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -11.962 tors. eta vs tors. theta energy: -15.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -213.301401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.301401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.301401 (E_RNA) where: Base-Base interactions energy: -146.619 where: short stacking energy: -65.973 Base-Backbone interact. energy: -0.771 local terms energy: -65.911517 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -10.598 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -9.155 tors. eta vs tors. theta energy: -21.189 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: 6 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -206.854111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.854111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.854111 (E_RNA) where: Base-Base interactions energy: -141.514 where: short stacking energy: -66.334 Base-Backbone interact. energy: -0.092 local terms energy: -65.248006 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -10.416 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: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -197.892985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.892985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.892985 (E_RNA) where: Base-Base interactions energy: -131.470 where: short stacking energy: -53.386 Base-Backbone interact. energy: -0.299 local terms energy: -66.123807 where: bonds (distance) C4'-P energy: -16.962 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -13.635 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -12.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -190.058381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.058381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.058381 (E_RNA) where: Base-Base interactions energy: -132.836 where: short stacking energy: -49.293 Base-Backbone interact. energy: -0.074 local terms energy: -57.147789 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -15.561 flat angles C4'-P-C4' energy: -10.327 flat angles P-C4'-P energy: -8.564 tors. eta vs tors. theta energy: -9.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -79.725594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.725594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.725594 (E_RNA) where: Base-Base interactions energy: -28.286 where: short stacking energy: -28.286 Base-Backbone interact. energy: -0.126 local terms energy: -51.313792 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -11.980 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -73.943375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.943375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.943375 (E_RNA) where: Base-Base interactions energy: -24.819 where: short stacking energy: -24.919 Base-Backbone interact. energy: -0.382 local terms energy: -48.742132 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -0.931 tors. eta vs tors. theta energy: -5.499 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: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -230.809153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.809153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.809153 (E_RNA) where: Base-Base interactions energy: -155.488 where: short stacking energy: -68.581 Base-Backbone interact. energy: -0.001 local terms energy: -75.320324 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -10.092 tors. eta vs tors. theta energy: -20.354 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: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -213.240704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.240704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.240704 (E_RNA) where: Base-Base interactions energy: -142.633 where: short stacking energy: -63.799 Base-Backbone interact. energy: -0.054 local terms energy: -70.553920 where: bonds (distance) C4'-P energy: -14.916 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -15.231 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: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -218.772046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.772046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.772046 (E_RNA) where: Base-Base interactions energy: -146.429 where: short stacking energy: -61.977 Base-Backbone interact. energy: -0.002 local terms energy: -72.340371 where: bonds (distance) C4'-P energy: -15.214 bonds (distance) P-C4' energy: -9.805 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -11.736 tors. eta vs tors. theta energy: -19.072 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: 412 Temperature: 1.050000 Total energy: -208.990609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.990609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.990609 (E_RNA) where: Base-Base interactions energy: -138.135 where: short stacking energy: -60.387 Base-Backbone interact. energy: -2.826 local terms energy: -68.030087 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -10.187 flat angles C4'-P-C4' energy: -13.324 flat angles P-C4'-P energy: -9.869 tors. eta vs tors. theta energy: -20.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -202.742342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.742342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.742342 (E_RNA) where: Base-Base interactions energy: -137.587 where: short stacking energy: -58.919 Base-Backbone interact. energy: -0.108 local terms energy: -65.046409 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -16.787 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -17.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -202.851898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.851898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.851898 (E_RNA) where: Base-Base interactions energy: -137.690 where: short stacking energy: -59.369 Base-Backbone interact. energy: -0.634 local terms energy: -64.527386 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -10.965 flat angles C4'-P-C4' energy: -14.887 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -17.759 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: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -191.354737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.354737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.354737 (E_RNA) where: Base-Base interactions energy: -136.215 where: short stacking energy: -52.395 Base-Backbone interact. energy: -0.576 local terms energy: -54.564038 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -7.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -204.366794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.366794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.366794 (E_RNA) where: Base-Base interactions energy: -138.301 where: short stacking energy: -61.767 Base-Backbone interact. energy: -0.818 local terms energy: -65.247771 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -14.397 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -10.544 tors. eta vs tors. theta energy: -15.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -79.724225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.724225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.724225 (E_RNA) where: Base-Base interactions energy: -31.788 where: short stacking energy: -31.788 Base-Backbone interact. energy: -0.127 local terms energy: -47.808600 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -11.661 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -7.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -68.717718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.717718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.717718 (E_RNA) where: Base-Base interactions energy: -25.044 where: short stacking energy: -25.044 Base-Backbone interact. energy: -0.049 local terms energy: -43.624708 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -10.546 flat angles C4'-P-C4' energy: -15.843 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -1.582 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: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -220.307913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.307913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.307913 (E_RNA) where: Base-Base interactions energy: -147.049 where: short stacking energy: -68.895 Base-Backbone interact. energy: -0.067 local terms energy: -73.191782 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -12.562 tors. eta vs tors. theta energy: -17.001 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: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -213.945365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.945365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.945365 (E_RNA) where: Base-Base interactions energy: -137.190 where: short stacking energy: -56.883 Base-Backbone interact. energy: -1.046 local terms energy: -75.708864 where: bonds (distance) C4'-P energy: -15.550 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -16.660 flat angles P-C4'-P energy: -11.437 tors. eta vs tors. theta energy: -17.000 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: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -216.332825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.332825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.332825 (E_RNA) where: Base-Base interactions energy: -143.889 where: short stacking energy: -68.236 Base-Backbone interact. energy: -0.004 local terms energy: -72.440324 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -10.308 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -11.642 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: 4, replica: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -217.165538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.165538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.165538 (E_RNA) where: Base-Base interactions energy: -147.512 where: short stacking energy: -69.701 Base-Backbone interact. energy: -0.000 local terms energy: -69.653063 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -10.267 tors. eta vs tors. theta energy: -20.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -192.345912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.345912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.345912 (E_RNA) where: Base-Base interactions energy: -129.780 where: short stacking energy: -54.901 Base-Backbone interact. energy: 0.366 local terms energy: -62.932435 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -13.553 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -12.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -199.338525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.338525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.338525 (E_RNA) where: Base-Base interactions energy: -140.688 where: short stacking energy: -49.708 Base-Backbone interact. energy: -0.251 local terms energy: -58.399468 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -16.370 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -9.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -199.902351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.902351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.902351 (E_RNA) where: Base-Base interactions energy: -141.333 where: short stacking energy: -58.560 Base-Backbone interact. energy: -0.012 local terms energy: -58.556879 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -11.146 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -7.776 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: 8, replica: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -199.976165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.976165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.976165 (E_RNA) where: Base-Base interactions energy: -137.541 where: short stacking energy: -53.024 Base-Backbone interact. energy: -0.000 local terms energy: -62.434819 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -12.491 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -15.448 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: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -81.449410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.449410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.449410 (E_RNA) where: Base-Base interactions energy: -33.184 where: short stacking energy: -33.184 Base-Backbone interact. energy: -0.038 local terms energy: -48.226885 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -3.719 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: 413 Temperature: 1.350000 Total energy: -80.087966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.087966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.087966 (E_RNA) where: Base-Base interactions energy: -30.207 where: short stacking energy: -25.341 Base-Backbone interact. energy: 0.849 local terms energy: -50.730313 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -221.000893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.000893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.000893 (E_RNA) where: Base-Base interactions energy: -151.024 where: short stacking energy: -65.915 Base-Backbone interact. energy: -0.002 local terms energy: -69.975065 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -14.729 flat angles C4'-P-C4' energy: -11.499 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: -21.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -215.230304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.230304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.230304 (E_RNA) where: Base-Base interactions energy: -145.953 where: short stacking energy: -63.646 Base-Backbone interact. energy: -0.045 local terms energy: -69.232345 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -21.103 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: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -214.908599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.908599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.908599 (E_RNA) where: Base-Base interactions energy: -155.504 where: short stacking energy: -67.211 Base-Backbone interact. energy: -0.105 local terms energy: -59.299802 where: bonds (distance) C4'-P energy: -8.529 bonds (distance) P-C4' energy: -7.790 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -8.230 tors. eta vs tors. theta energy: -20.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -214.235999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.235999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.235999 (E_RNA) where: Base-Base interactions energy: -144.150 where: short stacking energy: -60.851 Base-Backbone interact. energy: -0.006 local terms energy: -70.079647 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -16.196 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: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -209.230136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.230136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.230136 (E_RNA) where: Base-Base interactions energy: -143.548 where: short stacking energy: -61.632 Base-Backbone interact. energy: -0.631 local terms energy: -65.050846 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -9.274 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -12.153 tors. eta vs tors. theta energy: -18.684 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: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -198.218198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.218198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.218198 (E_RNA) where: Base-Base interactions energy: -132.336 where: short stacking energy: -57.007 Base-Backbone interact. energy: -0.440 local terms energy: -65.442151 where: bonds (distance) C4'-P energy: -10.677 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -9.303 tors. eta vs tors. theta energy: -16.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -199.375203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.375203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.375203 (E_RNA) where: Base-Base interactions energy: -137.444 where: short stacking energy: -58.947 Base-Backbone interact. energy: -0.001 local terms energy: -61.929985 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -10.716 flat angles C4'-P-C4' energy: -12.030 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -19.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -172.258355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.258355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.258355 (E_RNA) where: Base-Base interactions energy: -113.589 where: short stacking energy: -45.784 Base-Backbone interact. energy: 0.315 local terms energy: -58.983991 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -14.702 flat angles P-C4'-P energy: -10.313 tors. eta vs tors. theta energy: -11.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -95.518279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.518279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.518279 (E_RNA) where: Base-Base interactions energy: -52.275 where: short stacking energy: -23.599 Base-Backbone interact. energy: -0.285 local terms energy: -42.958555 where: bonds (distance) C4'-P energy: -14.971 bonds (distance) P-C4' energy: -8.723 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -73.089527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.089527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.089527 (E_RNA) where: Base-Base interactions energy: -26.058 where: short stacking energy: -27.758 Base-Backbone interact. energy: -0.302 local terms energy: -46.729043 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -12.947 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -5.863 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: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -224.952318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.952318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.952318 (E_RNA) where: Base-Base interactions energy: -151.088 where: short stacking energy: -67.269 Base-Backbone interact. energy: -0.017 local terms energy: -73.847008 where: bonds (distance) C4'-P energy: -14.204 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -15.791 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -19.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -219.922727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.922727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.922727 (E_RNA) where: Base-Base interactions energy: -148.471 where: short stacking energy: -67.453 Base-Backbone interact. energy: -0.292 local terms energy: -71.160308 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -16.625 flat angles P-C4'-P energy: -10.767 tors. eta vs tors. theta energy: -17.610 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: 3, replica: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -213.209186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.209186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.209186 (E_RNA) where: Base-Base interactions energy: -144.758 where: short stacking energy: -62.938 Base-Backbone interact. energy: -0.449 local terms energy: -68.001811 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -16.708 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -16.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -207.928271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.928271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.928271 (E_RNA) where: Base-Base interactions energy: -142.316 where: short stacking energy: -54.256 Base-Backbone interact. energy: 0.899 local terms energy: -66.510804 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -14.828 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -15.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -206.628149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.628149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.628149 (E_RNA) where: Base-Base interactions energy: -140.691 where: short stacking energy: -63.330 Base-Backbone interact. energy: -0.031 local terms energy: -65.906833 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -21.021 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: 6, replica: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -173.104381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.104381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.104381 (E_RNA) where: Base-Base interactions energy: -110.335 where: short stacking energy: -50.871 Base-Backbone interact. energy: -0.003 local terms energy: -62.766315 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: -13.288 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: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -203.552570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.552570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.552570 (E_RNA) where: Base-Base interactions energy: -133.708 where: short stacking energy: -62.555 Base-Backbone interact. energy: -0.001 local terms energy: -69.842674 where: bonds (distance) C4'-P energy: -9.489 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -16.528 flat angles P-C4'-P energy: -11.055 tors. eta vs tors. theta energy: -19.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -155.323597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.323597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.323597 (E_RNA) where: Base-Base interactions energy: -99.766 where: short stacking energy: -45.554 Base-Backbone interact. energy: -0.103 local terms energy: -55.455208 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -11.105 tors. eta vs tors. theta energy: -11.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -158.877147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.877147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.877147 (E_RNA) where: Base-Base interactions energy: -97.887 where: short stacking energy: -45.743 Base-Backbone interact. energy: -0.381 local terms energy: -60.608831 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -11.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -70.407984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.407984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.407984 (E_RNA) where: Base-Base interactions energy: -25.185 where: short stacking energy: -23.620 Base-Backbone interact. energy: -0.124 local terms energy: -45.099428 where: bonds (distance) C4'-P energy: -6.165 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -3.023 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: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -221.460619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.460619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.460619 (E_RNA) where: Base-Base interactions energy: -150.579 where: short stacking energy: -67.866 Base-Backbone interact. energy: -0.001 local terms energy: -70.880111 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -14.375 flat angles P-C4'-P energy: -10.679 tors. eta vs tors. theta energy: -20.501 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: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -219.407045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.407045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.407045 (E_RNA) where: Base-Base interactions energy: -145.772 where: short stacking energy: -63.055 Base-Backbone interact. energy: -0.090 local terms energy: -73.544113 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -12.384 tors. eta vs tors. theta energy: -18.663 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: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -208.428932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.428932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.428932 (E_RNA) where: Base-Base interactions energy: -139.011 where: short stacking energy: -59.367 Base-Backbone interact. energy: -0.111 local terms energy: -69.306897 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -15.484 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: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -209.165391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.165391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.165391 (E_RNA) where: Base-Base interactions energy: -135.001 where: short stacking energy: -55.403 Base-Backbone interact. energy: -2.572 local terms energy: -71.592296 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -20.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -199.091723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.091723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.091723 (E_RNA) where: Base-Base interactions energy: -136.488 where: short stacking energy: -57.556 Base-Backbone interact. energy: -0.239 local terms energy: -62.364884 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -15.095 flat angles C4'-P-C4' energy: -10.858 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -16.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -166.762200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.762200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.762200 (E_RNA) where: Base-Base interactions energy: -110.366 where: short stacking energy: -47.878 Base-Backbone interact. energy: -0.012 local terms energy: -56.383838 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -13.635 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -7.693 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: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -198.189949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.189949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.189949 (E_RNA) where: Base-Base interactions energy: -140.625 where: short stacking energy: -55.048 Base-Backbone interact. energy: -0.013 local terms energy: -57.552402 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -11.022 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -16.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -163.528949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.528949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.528949 (E_RNA) where: Base-Base interactions energy: -108.747 where: short stacking energy: -48.691 Base-Backbone interact. energy: 0.017 local terms energy: -54.799653 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -11.072 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -10.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -64.799418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.799418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.799418 (E_RNA) where: Base-Base interactions energy: -28.742 where: short stacking energy: -26.553 Base-Backbone interact. energy: -0.774 local terms energy: -35.283237 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -10.299 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -146.605759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.605759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.605759 (E_RNA) where: Base-Base interactions energy: -94.929 where: short stacking energy: -33.917 Base-Backbone interact. energy: -0.005 local terms energy: -51.672192 where: bonds (distance) C4'-P energy: -10.939 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -8.805 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -7.580 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: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -220.695327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.695327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.695327 (E_RNA) where: Base-Base interactions energy: -150.197 where: short stacking energy: -61.198 Base-Backbone interact. energy: -0.689 local terms energy: -69.810166 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -18.983 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: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -219.390753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.390753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.390753 (E_RNA) where: Base-Base interactions energy: -147.172 where: short stacking energy: -71.258 Base-Backbone interact. energy: -0.020 local terms energy: -72.199136 where: bonds (distance) C4'-P energy: -9.453 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -16.231 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -21.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -207.242711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.242711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.242711 (E_RNA) where: Base-Base interactions energy: -140.998 where: short stacking energy: -62.725 Base-Backbone interact. energy: -0.002 local terms energy: -66.242837 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -10.391 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -206.477904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.477904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.477904 (E_RNA) where: Base-Base interactions energy: -146.257 where: short stacking energy: -59.608 Base-Backbone interact. energy: -0.014 local terms energy: -60.207573 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -16.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -201.814949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.814949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.814949 (E_RNA) where: Base-Base interactions energy: -138.109 where: short stacking energy: -61.354 Base-Backbone interact. energy: -0.411 local terms energy: -63.295607 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -12.323 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -15.038 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: 417 Temperature: 1.150000 Total energy: -201.344514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.344514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.344514 (E_RNA) where: Base-Base interactions energy: -137.267 where: short stacking energy: -56.078 Base-Backbone interact. energy: -0.088 local terms energy: -63.988698 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -13.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -158.881241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.881241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.881241 (E_RNA) where: Base-Base interactions energy: -102.344 where: short stacking energy: -49.924 Base-Backbone interact. energy: -0.022 local terms energy: -56.515342 where: bonds (distance) C4'-P energy: -11.083 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: -10.375 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: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -154.358036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.358036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.358036 (E_RNA) where: Base-Base interactions energy: -94.621 where: short stacking energy: -36.475 Base-Backbone interact. energy: -0.112 local terms energy: -59.625332 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -16.824 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -9.065 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: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -82.082355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.082355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.082355 (E_RNA) where: Base-Base interactions energy: -34.898 where: short stacking energy: -34.898 Base-Backbone interact. energy: -0.057 local terms energy: -47.127723 where: bonds (distance) C4'-P energy: -7.106 bonds (distance) P-C4' energy: -11.533 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -7.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -165.065443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.065443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.065443 (E_RNA) where: Base-Base interactions energy: -109.169 where: short stacking energy: -45.564 Base-Backbone interact. energy: -0.020 local terms energy: -55.876244 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -10.010 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -16.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -225.327586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.327586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.327586 (E_RNA) where: Base-Base interactions energy: -148.705 where: short stacking energy: -68.570 Base-Backbone interact. energy: -0.091 local terms energy: -76.531400 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -21.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -217.923913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.923913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.923913 (E_RNA) where: Base-Base interactions energy: -145.006 where: short stacking energy: -61.039 Base-Backbone interact. energy: -0.343 local terms energy: -72.575037 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -19.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -212.333647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.333647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.333647 (E_RNA) where: Base-Base interactions energy: -141.229 where: short stacking energy: -61.372 Base-Backbone interact. energy: -0.309 local terms energy: -70.796120 where: bonds (distance) C4'-P energy: -15.120 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -15.586 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -18.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -210.687183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.687183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.687183 (E_RNA) where: Base-Base interactions energy: -144.948 where: short stacking energy: -64.109 Base-Backbone interact. energy: -0.335 local terms energy: -65.404362 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -11.340 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -18.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -208.871255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.871255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.871255 (E_RNA) where: Base-Base interactions energy: -142.154 where: short stacking energy: -56.843 Base-Backbone interact. energy: -0.444 local terms energy: -66.273689 where: bonds (distance) C4'-P energy: -10.962 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -16.960 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: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -199.452573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.452573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.452573 (E_RNA) where: Base-Base interactions energy: -140.618 where: short stacking energy: -55.176 Base-Backbone interact. energy: -0.236 local terms energy: -58.597944 where: bonds (distance) C4'-P energy: -14.474 bonds (distance) P-C4' energy: -9.989 flat angles C4'-P-C4' energy: -11.441 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -11.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -163.803463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.803463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.803463 (E_RNA) where: Base-Base interactions energy: -102.813 where: short stacking energy: -51.472 Base-Backbone interact. energy: -1.004 local terms energy: -59.986595 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -11.494 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: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -174.734629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.734629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.734629 (E_RNA) where: Base-Base interactions energy: -113.742 where: short stacking energy: -53.924 Base-Backbone interact. energy: -0.228 local terms energy: -60.764003 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -11.274 flat angles P-C4'-P energy: -11.730 tors. eta vs tors. theta energy: -12.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -177.258381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.258381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.258381 (E_RNA) where: Base-Base interactions energy: -124.157 where: short stacking energy: -47.109 Base-Backbone interact. energy: -0.106 local terms energy: -52.995424 where: bonds (distance) C4'-P energy: -7.711 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -14.115 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -14.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -79.646778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.646778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.646778 (E_RNA) where: Base-Base interactions energy: -37.755 where: short stacking energy: -37.755 Base-Backbone interact. energy: -0.207 local terms energy: -41.684650 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -9.722 flat angles C4'-P-C4' energy: -10.469 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -4.024 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: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -224.778528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.778528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.778528 (E_RNA) where: Base-Base interactions energy: -152.391 where: short stacking energy: -69.067 Base-Backbone interact. energy: -0.234 local terms energy: -72.153343 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -15.254 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -19.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -218.340743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.340743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.340743 (E_RNA) where: Base-Base interactions energy: -145.451 where: short stacking energy: -68.495 Base-Backbone interact. energy: -0.603 local terms energy: -72.286460 where: bonds (distance) C4'-P energy: -14.499 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -11.937 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: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -215.786581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.786581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.786581 (E_RNA) where: Base-Base interactions energy: -147.864 where: short stacking energy: -62.623 Base-Backbone interact. energy: -0.084 local terms energy: -67.838660 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -10.577 tors. eta vs tors. theta energy: -18.120 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: 419 Temperature: 1.050000 Total energy: -210.415916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.415916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.415916 (E_RNA) where: Base-Base interactions energy: -146.624 where: short stacking energy: -61.223 Base-Backbone interact. energy: -0.037 local terms energy: -63.755651 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -16.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -208.184555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.184555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.184555 (E_RNA) where: Base-Base interactions energy: -144.994 where: short stacking energy: -62.977 Base-Backbone interact. energy: -0.027 local terms energy: -63.163567 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -18.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -196.380210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.380210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.380210 (E_RNA) where: Base-Base interactions energy: -142.939 where: short stacking energy: -54.587 Base-Backbone interact. energy: -0.131 local terms energy: -53.310227 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -10.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -185.313813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.313813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.313813 (E_RNA) where: Base-Base interactions energy: -128.219 where: short stacking energy: -54.232 Base-Backbone interact. energy: -0.118 local terms energy: -56.977294 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: -12.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -191.941863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.941863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.941863 (E_RNA) where: Base-Base interactions energy: -126.885 where: short stacking energy: -44.731 Base-Backbone interact. energy: -0.203 local terms energy: -64.853134 where: bonds (distance) C4'-P energy: -11.989 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -15.117 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -13.165 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: 419 Temperature: 1.300000 Total energy: -165.870078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.870078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.870078 (E_RNA) where: Base-Base interactions energy: -122.948 where: short stacking energy: -46.071 Base-Backbone interact. energy: -0.175 local terms energy: -42.746744 where: bonds (distance) C4'-P energy: -13.053 bonds (distance) P-C4' energy: -5.834 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -89.119080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.119080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.119080 (E_RNA) where: Base-Base interactions energy: -43.014 where: short stacking energy: -31.501 Base-Backbone interact. energy: 0.209 local terms energy: -46.313983 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -16.601 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -7.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -216.083833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.083833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.083833 (E_RNA) where: Base-Base interactions energy: -144.367 where: short stacking energy: -56.999 Base-Backbone interact. energy: 1.080 local terms energy: -72.797182 where: bonds (distance) C4'-P energy: -15.136 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -19.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -216.038420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.038420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.038420 (E_RNA) where: Base-Base interactions energy: -145.498 where: short stacking energy: -69.807 Base-Backbone interact. energy: -0.001 local terms energy: -70.539293 where: bonds (distance) C4'-P energy: -14.482 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -11.073 tors. eta vs tors. theta energy: -18.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -214.062871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.062871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.062871 (E_RNA) where: Base-Base interactions energy: -146.554 where: short stacking energy: -63.236 Base-Backbone interact. energy: -0.290 local terms energy: -67.218108 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -9.063 tors. eta vs tors. theta energy: -18.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -212.467104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.467104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.467104 (E_RNA) where: Base-Base interactions energy: -147.428 where: short stacking energy: -67.348 Base-Backbone interact. energy: -0.051 local terms energy: -64.988318 where: bonds (distance) C4'-P energy: -10.185 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -18.075 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: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -200.806810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.806810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.806810 (E_RNA) where: Base-Base interactions energy: -134.144 where: short stacking energy: -57.237 Base-Backbone interact. energy: -0.022 local terms energy: -66.640961 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -205.614976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.614976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.614976 (E_RNA) where: Base-Base interactions energy: -140.231 where: short stacking energy: -60.792 Base-Backbone interact. energy: -0.922 local terms energy: -64.461939 where: bonds (distance) C4'-P energy: -11.182 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -10.640 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -18.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -199.453364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.453364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.453364 (E_RNA) where: Base-Base interactions energy: -141.630 where: short stacking energy: -53.457 Base-Backbone interact. energy: -0.268 local terms energy: -57.555081 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -11.394 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -13.776 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: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -190.776314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.776314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.776314 (E_RNA) where: Base-Base interactions energy: -132.307 where: short stacking energy: -53.742 Base-Backbone interact. energy: -0.092 local terms energy: -58.377513 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -14.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -76.821515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.821515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.821515 (E_RNA) where: Base-Base interactions energy: -35.022 where: short stacking energy: -24.764 Base-Backbone interact. energy: -0.222 local terms energy: -41.577389 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -6.595 tors. eta vs tors. theta energy: -0.864 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: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -180.986030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.986030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.986030 (E_RNA) where: Base-Base interactions energy: -123.692 where: short stacking energy: -50.848 Base-Backbone interact. energy: -0.048 local terms energy: -57.245927 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -9.173 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -14.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -219.780204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.780204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.780204 (E_RNA) where: Base-Base interactions energy: -150.215 where: short stacking energy: -62.894 Base-Backbone interact. energy: -0.024 local terms energy: -69.540441 where: bonds (distance) C4'-P energy: -6.491 bonds (distance) P-C4' energy: -15.524 flat angles C4'-P-C4' energy: -16.550 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -19.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -217.620457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.620457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.620457 (E_RNA) where: Base-Base interactions energy: -147.038 where: short stacking energy: -63.813 Base-Backbone interact. energy: -0.002 local terms energy: -70.579727 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -20.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -218.866985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.866985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.866985 (E_RNA) where: Base-Base interactions energy: -143.692 where: short stacking energy: -61.120 Base-Backbone interact. energy: -0.315 local terms energy: -74.860214 where: bonds (distance) C4'-P energy: -13.647 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -12.475 tors. eta vs tors. theta energy: -20.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -216.667431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.667431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.667431 (E_RNA) where: Base-Base interactions energy: -146.189 where: short stacking energy: -66.362 Base-Backbone interact. energy: -0.329 local terms energy: -70.148955 where: bonds (distance) C4'-P energy: -11.738 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -15.784 flat angles P-C4'-P energy: -11.284 tors. eta vs tors. theta energy: -19.411 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: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -208.840500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.840500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.840500 (E_RNA) where: Base-Base interactions energy: -143.194 where: short stacking energy: -59.474 Base-Backbone interact. energy: -0.104 local terms energy: -65.543134 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -10.708 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -16.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -207.707249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.707249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.707249 (E_RNA) where: Base-Base interactions energy: -140.824 where: short stacking energy: -62.873 Base-Backbone interact. energy: -0.148 local terms energy: -66.734859 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -9.378 tors. eta vs tors. theta energy: -16.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -194.102715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.102715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.102715 (E_RNA) where: Base-Base interactions energy: -133.706 where: short stacking energy: -56.102 Base-Backbone interact. energy: 0.040 local terms energy: -60.436499 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -16.349 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: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -87.381362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.381362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.381362 (E_RNA) where: Base-Base interactions energy: -38.290 where: short stacking energy: -38.290 Base-Backbone interact. energy: -0.113 local terms energy: -48.978183 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -9.182 flat angles C4'-P-C4' energy: -10.460 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: -6.913 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: 9, replica: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -189.884978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.884978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.884978 (E_RNA) where: Base-Base interactions energy: -134.802 where: short stacking energy: -53.131 Base-Backbone interact. energy: -0.193 local terms energy: -54.889621 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -12.284 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -14.206 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: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -190.247806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.247806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.247806 (E_RNA) where: Base-Base interactions energy: -131.739 where: short stacking energy: -49.705 Base-Backbone interact. energy: -0.199 local terms energy: -58.309774 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -9.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -223.215563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.215563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.215563 (E_RNA) where: Base-Base interactions energy: -153.662 where: short stacking energy: -71.949 Base-Backbone interact. energy: -0.048 local terms energy: -69.505724 where: bonds (distance) C4'-P energy: -12.280 bonds (distance) P-C4' energy: -13.656 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -19.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -217.435331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.435331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.435331 (E_RNA) where: Base-Base interactions energy: -144.720 where: short stacking energy: -64.449 Base-Backbone interact. energy: -0.003 local terms energy: -72.711861 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -11.921 tors. eta vs tors. theta energy: -17.513 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: 422 Temperature: 1.000000 Total energy: -219.261046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.261046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.261046 (E_RNA) where: Base-Base interactions energy: -147.465 where: short stacking energy: -65.509 Base-Backbone interact. energy: -0.334 local terms energy: -71.461687 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -20.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -213.554449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.554449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.554449 (E_RNA) where: Base-Base interactions energy: -145.345 where: short stacking energy: -63.276 Base-Backbone interact. energy: -0.001 local terms energy: -68.208978 where: bonds (distance) C4'-P energy: -14.976 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -7.422 tors. eta vs tors. theta energy: -19.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -212.462428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.462428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.462428 (E_RNA) where: Base-Base interactions energy: -143.998 where: short stacking energy: -60.995 Base-Backbone interact. energy: -0.003 local terms energy: -68.461411 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -11.244 tors. eta vs tors. theta energy: -17.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -205.393873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.393873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.393873 (E_RNA) where: Base-Base interactions energy: -144.314 where: short stacking energy: -58.060 Base-Backbone interact. energy: -0.096 local terms energy: -60.983802 where: bonds (distance) C4'-P energy: -11.800 bonds (distance) P-C4' energy: -9.473 flat angles C4'-P-C4' energy: -13.987 flat angles P-C4'-P energy: -7.997 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: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -199.480274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.480274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.480274 (E_RNA) where: Base-Base interactions energy: -139.045 where: short stacking energy: -60.818 Base-Backbone interact. energy: -0.044 local terms energy: -60.391289 where: bonds (distance) C4'-P energy: -9.358 bonds (distance) P-C4' energy: -9.858 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -17.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -82.807375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.807375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.807375 (E_RNA) where: Base-Base interactions energy: -32.472 where: short stacking energy: -32.472 Base-Backbone interact. energy: 0.453 local terms energy: -50.788281 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -10.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -192.369429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.369429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.369429 (E_RNA) where: Base-Base interactions energy: -133.867 where: short stacking energy: -54.337 Base-Backbone interact. energy: -0.781 local terms energy: -57.721665 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -13.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -155.452683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.452683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.452683 (E_RNA) where: Base-Base interactions energy: -107.801 where: short stacking energy: -38.935 Base-Backbone interact. energy: -0.057 local terms energy: -47.594227 where: bonds (distance) C4'-P energy: -9.157 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -11.101 tors. eta vs tors. theta energy: -11.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -216.857854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.857854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.857854 (E_RNA) where: Base-Base interactions energy: -143.929 where: short stacking energy: -66.078 Base-Backbone interact. energy: -0.103 local terms energy: -72.825679 where: bonds (distance) C4'-P energy: -16.237 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -12.195 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -214.515658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.515658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.515658 (E_RNA) where: Base-Base interactions energy: -147.062 where: short stacking energy: -61.573 Base-Backbone interact. energy: -0.297 local terms energy: -67.156985 where: bonds (distance) C4'-P energy: -8.964 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -16.316 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -219.757268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.757268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.757268 (E_RNA) where: Base-Base interactions energy: -144.919 where: short stacking energy: -67.198 Base-Backbone interact. energy: -1.229 local terms energy: -73.609087 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -16.330 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -20.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -208.225638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.225638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.225638 (E_RNA) where: Base-Base interactions energy: -143.132 where: short stacking energy: -58.404 Base-Backbone interact. energy: -1.372 local terms energy: -63.721196 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: -16.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -207.066152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.066152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.066152 (E_RNA) where: Base-Base interactions energy: -141.243 where: short stacking energy: -60.397 Base-Backbone interact. energy: -0.026 local terms energy: -65.797329 where: bonds (distance) C4'-P energy: -13.785 bonds (distance) P-C4' energy: -12.059 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -9.736 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: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -210.760454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.760454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.760454 (E_RNA) where: Base-Base interactions energy: -147.468 where: short stacking energy: -70.386 Base-Backbone interact. energy: 1.215 local terms energy: -64.507353 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -19.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -207.435368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.435368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.435368 (E_RNA) where: Base-Base interactions energy: -139.306 where: short stacking energy: -64.726 Base-Backbone interact. energy: -0.105 local terms energy: -68.023739 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -203.883332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.883332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.883332 (E_RNA) where: Base-Base interactions energy: -139.505 where: short stacking energy: -57.211 Base-Backbone interact. energy: -0.019 local terms energy: -64.358701 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -78.793077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.793077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.793077 (E_RNA) where: Base-Base interactions energy: -29.422 where: short stacking energy: -26.250 Base-Backbone interact. energy: -0.734 local terms energy: -48.637378 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -6.710 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: 423 Temperature: 1.350000 Total energy: -156.243844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.243844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.243844 (E_RNA) where: Base-Base interactions energy: -103.231 where: short stacking energy: -41.308 Base-Backbone interact. energy: -0.694 local terms energy: -52.318713 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -10.279 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -6.383 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: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -225.680719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.680719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.680719 (E_RNA) where: Base-Base interactions energy: -153.759 where: short stacking energy: -67.910 Base-Backbone interact. energy: -0.249 local terms energy: -71.673363 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -11.825 tors. eta vs tors. theta energy: -17.810 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: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -217.248622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.248622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.248622 (E_RNA) where: Base-Base interactions energy: -149.409 where: short stacking energy: -63.308 Base-Backbone interact. energy: -0.444 local terms energy: -67.395362 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -10.625 tors. eta vs tors. theta energy: -16.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -218.429017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.429017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.429017 (E_RNA) where: Base-Base interactions energy: -152.179 where: short stacking energy: -68.925 Base-Backbone interact. energy: -0.082 local terms energy: -66.168280 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -18.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -211.603382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.603382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.603382 (E_RNA) where: Base-Base interactions energy: -145.844 where: short stacking energy: -61.083 Base-Backbone interact. energy: 0.522 local terms energy: -66.281520 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -8.712 tors. eta vs tors. theta energy: -17.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -204.883216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.883216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.883216 (E_RNA) where: Base-Base interactions energy: -144.555 where: short stacking energy: -63.351 Base-Backbone interact. energy: -0.048 local terms energy: -60.280162 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -14.647 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -16.672 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: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -194.473838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.473838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.473838 (E_RNA) where: Base-Base interactions energy: -138.124 where: short stacking energy: -56.035 Base-Backbone interact. energy: -0.143 local terms energy: -56.206268 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -11.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -199.327287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.327287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.327287 (E_RNA) where: Base-Base interactions energy: -136.150 where: short stacking energy: -58.348 Base-Backbone interact. energy: -0.001 local terms energy: -63.176762 where: bonds (distance) C4'-P energy: -9.340 bonds (distance) P-C4' energy: -10.268 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -11.281 tors. eta vs tors. theta energy: -17.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -195.985538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.985538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.985538 (E_RNA) where: Base-Base interactions energy: -129.310 where: short stacking energy: -58.531 Base-Backbone interact. energy: -0.024 local terms energy: -66.652434 where: bonds (distance) C4'-P energy: -10.492 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -14.946 flat angles P-C4'-P energy: -13.164 tors. eta vs tors. theta energy: -13.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -172.243547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.243547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.243547 (E_RNA) where: Base-Base interactions energy: -111.437 where: short stacking energy: -54.872 Base-Backbone interact. energy: -0.031 local terms energy: -60.776174 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -6.417 tors. eta vs tors. theta energy: -12.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -75.169234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.169234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.169234 (E_RNA) where: Base-Base interactions energy: -34.486 where: short stacking energy: -34.486 Base-Backbone interact. energy: -0.006 local terms energy: -40.676802 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -9.233 flat angles C4'-P-C4' energy: -9.483 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -7.351 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: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -227.801047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.801047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.801047 (E_RNA) where: Base-Base interactions energy: -154.359 where: short stacking energy: -65.212 Base-Backbone interact. energy: -0.108 local terms energy: -73.334084 where: bonds (distance) C4'-P energy: -15.849 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -12.488 tors. eta vs tors. theta energy: -20.586 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: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -221.270418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.270418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.270418 (E_RNA) where: Base-Base interactions energy: -149.665 where: short stacking energy: -65.365 Base-Backbone interact. energy: -0.379 local terms energy: -71.227252 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -13.806 flat angles P-C4'-P energy: -8.047 tors. eta vs tors. theta energy: -19.853 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: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -211.782582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.782582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.782582 (E_RNA) where: Base-Base interactions energy: -143.897 where: short stacking energy: -59.140 Base-Backbone interact. energy: -0.003 local terms energy: -67.882266 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -15.284 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -14.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -211.427121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.427121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.427121 (E_RNA) where: Base-Base interactions energy: -151.701 where: short stacking energy: -60.104 Base-Backbone interact. energy: -0.003 local terms energy: -59.722938 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -10.039 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -8.125 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: 5, replica: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -209.342620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.342620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.342620 (E_RNA) where: Base-Base interactions energy: -146.875 where: short stacking energy: -63.818 Base-Backbone interact. energy: -0.025 local terms energy: -62.442854 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -11.540 flat angles C4'-P-C4' energy: -13.577 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -16.261 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: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -206.794896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.794896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.794896 (E_RNA) where: Base-Base interactions energy: -137.896 where: short stacking energy: -64.362 Base-Backbone interact. energy: -0.740 local terms energy: -68.159529 where: bonds (distance) C4'-P energy: -11.745 bonds (distance) P-C4' energy: -14.637 flat angles C4'-P-C4' energy: -14.550 flat angles P-C4'-P energy: -7.327 tors. eta vs tors. theta energy: -19.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -195.961805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.961805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.961805 (E_RNA) where: Base-Base interactions energy: -135.146 where: short stacking energy: -54.895 Base-Backbone interact. energy: -0.117 local terms energy: -60.698848 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -15.142 flat angles C4'-P-C4' energy: -12.468 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -12.786 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: 425 Temperature: 1.250000 Total energy: -158.456270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.456270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.456270 (E_RNA) where: Base-Base interactions energy: -105.891 where: short stacking energy: -48.068 Base-Backbone interact. energy: -0.938 local terms energy: -51.627424 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -11.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -153.348874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.348874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.348874 (E_RNA) where: Base-Base interactions energy: -99.024 where: short stacking energy: -37.692 Base-Backbone interact. energy: 1.236 local terms energy: -55.560909 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -8.318 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: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -80.257484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.257484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.257484 (E_RNA) where: Base-Base interactions energy: -34.756 where: short stacking energy: -29.728 Base-Backbone interact. energy: -0.180 local terms energy: -45.321003 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -10.101 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -218.030060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.030060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.030060 (E_RNA) where: Base-Base interactions energy: -148.459 where: short stacking energy: -68.183 Base-Backbone interact. energy: -0.793 local terms energy: -68.778185 where: bonds (distance) C4'-P energy: -15.493 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -12.384 tors. eta vs tors. theta energy: -17.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -216.757269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.757269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.757269 (E_RNA) where: Base-Base interactions energy: -149.913 where: short stacking energy: -69.058 Base-Backbone interact. energy: -0.001 local terms energy: -66.843284 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -12.263 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -21.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -213.038155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.038155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.038155 (E_RNA) where: Base-Base interactions energy: -145.472 where: short stacking energy: -60.953 Base-Backbone interact. energy: -0.003 local terms energy: -67.563180 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -12.126 flat angles C4'-P-C4' energy: -13.285 flat angles P-C4'-P energy: -12.628 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: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -215.107346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.107346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.107346 (E_RNA) where: Base-Base interactions energy: -141.578 where: short stacking energy: -59.922 Base-Backbone interact. energy: -0.122 local terms energy: -73.407511 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -19.441 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: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -203.209345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.209345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.209345 (E_RNA) where: Base-Base interactions energy: -138.878 where: short stacking energy: -59.158 Base-Backbone interact. energy: -0.235 local terms energy: -64.097070 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -202.712729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.712729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.712729 (E_RNA) where: Base-Base interactions energy: -133.788 where: short stacking energy: -56.731 Base-Backbone interact. energy: -0.001 local terms energy: -68.924072 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -13.004 tors. eta vs tors. theta energy: -17.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -192.869446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.869446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.869446 (E_RNA) where: Base-Base interactions energy: -138.389 where: short stacking energy: -52.830 Base-Backbone interact. energy: 0.751 local terms energy: -55.231621 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -12.713 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -11.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -178.985143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.985143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.985143 (E_RNA) where: Base-Base interactions energy: -121.366 where: short stacking energy: -50.741 Base-Backbone interact. energy: -0.060 local terms energy: -57.559168 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -14.475 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -7.820 tors. eta vs tors. theta energy: -15.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -86.911201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.911201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.911201 (E_RNA) where: Base-Base interactions energy: -32.736 where: short stacking energy: -31.159 Base-Backbone interact. energy: 0.239 local terms energy: -54.413437 where: bonds (distance) C4'-P energy: -11.303 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -182.064345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.064345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.064345 (E_RNA) where: Base-Base interactions energy: -129.967 where: short stacking energy: -54.965 Base-Backbone interact. energy: -0.088 local terms energy: -52.009649 where: bonds (distance) C4'-P energy: -8.897 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -216.859359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.859359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.859359 (E_RNA) where: Base-Base interactions energy: -146.870 where: short stacking energy: -67.184 Base-Backbone interact. energy: -0.255 local terms energy: -69.734318 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -17.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -218.825562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.825562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.825562 (E_RNA) where: Base-Base interactions energy: -145.173 where: short stacking energy: -67.628 Base-Backbone interact. energy: -0.001 local terms energy: -73.652057 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -11.931 tors. eta vs tors. theta energy: -21.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -205.901182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.901182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.901182 (E_RNA) where: Base-Base interactions energy: -145.303 where: short stacking energy: -57.963 Base-Backbone interact. energy: -0.580 local terms energy: -60.017512 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -9.785 flat angles P-C4'-P energy: -3.221 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: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -209.743023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.743023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.743023 (E_RNA) where: Base-Base interactions energy: -140.767 where: short stacking energy: -60.553 Base-Backbone interact. energy: -0.074 local terms energy: -68.902163 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -15.215 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -20.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -208.850899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.850899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.850899 (E_RNA) where: Base-Base interactions energy: -145.967 where: short stacking energy: -63.117 Base-Backbone interact. energy: -0.077 local terms energy: -62.806965 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -12.083 flat angles C4'-P-C4' energy: -8.980 flat angles P-C4'-P energy: -9.730 tors. eta vs tors. theta energy: -19.243 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: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -200.832702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.832702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.832702 (E_RNA) where: Base-Base interactions energy: -136.535 where: short stacking energy: -62.481 Base-Backbone interact. energy: -0.244 local terms energy: -64.053398 where: bonds (distance) C4'-P energy: -9.380 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -9.405 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: 7, replica: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -197.396551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.396551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.396551 (E_RNA) where: Base-Base interactions energy: -137.309 where: short stacking energy: -56.073 Base-Backbone interact. energy: -0.063 local terms energy: -60.025012 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -7.186 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -11.569 tors. eta vs tors. theta energy: -13.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -192.487198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.487198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.487198 (E_RNA) where: Base-Base interactions energy: -141.565 where: short stacking energy: -58.406 Base-Backbone interact. energy: -0.427 local terms energy: -50.495160 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -14.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -76.388327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.388327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.388327 (E_RNA) where: Base-Base interactions energy: -34.912 where: short stacking energy: -34.912 Base-Backbone interact. energy: -0.023 local terms energy: -41.452982 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -167.924434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.924434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.924434 (E_RNA) where: Base-Base interactions energy: -114.797 where: short stacking energy: -47.361 Base-Backbone interact. energy: -0.177 local terms energy: -52.950262 where: bonds (distance) C4'-P energy: -9.518 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -14.053 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: 428 Temperature: 0.900000 Total energy: -216.892145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.892145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.892145 (E_RNA) where: Base-Base interactions energy: -147.931 where: short stacking energy: -63.233 Base-Backbone interact. energy: -0.106 local terms energy: -68.855643 where: bonds (distance) C4'-P energy: -15.753 bonds (distance) P-C4' energy: -12.763 flat angles C4'-P-C4' energy: -12.713 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -17.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -213.394114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.394114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.394114 (E_RNA) where: Base-Base interactions energy: -140.201 where: short stacking energy: -58.687 Base-Backbone interact. energy: -0.020 local terms energy: -73.173250 where: bonds (distance) C4'-P energy: -14.822 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -16.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -217.180381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.180381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.180381 (E_RNA) where: Base-Base interactions energy: -147.430 where: short stacking energy: -66.374 Base-Backbone interact. energy: -0.001 local terms energy: -69.749206 where: bonds (distance) C4'-P energy: -14.780 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -19.677 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: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -215.016585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.016585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.016585 (E_RNA) where: Base-Base interactions energy: -147.821 where: short stacking energy: -67.296 Base-Backbone interact. energy: -0.051 local terms energy: -67.144886 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -12.791 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -17.827 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: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -207.663493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.663493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.663493 (E_RNA) where: Base-Base interactions energy: -134.279 where: short stacking energy: -57.791 Base-Backbone interact. energy: -0.016 local terms energy: -73.368024 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -12.055 tors. eta vs tors. theta energy: -17.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -198.215101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.215101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.215101 (E_RNA) where: Base-Base interactions energy: -131.056 where: short stacking energy: -55.314 Base-Backbone interact. energy: -0.226 local terms energy: -66.932961 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -11.164 tors. eta vs tors. theta energy: -14.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -202.841739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.841739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.841739 (E_RNA) where: Base-Base interactions energy: -141.084 where: short stacking energy: -57.293 Base-Backbone interact. energy: -0.071 local terms energy: -61.686689 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -17.029 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: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -192.158672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.158672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.158672 (E_RNA) where: Base-Base interactions energy: -131.206 where: short stacking energy: -51.759 Base-Backbone interact. energy: -0.031 local terms energy: -60.921574 where: bonds (distance) C4'-P energy: -10.565 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -11.182 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -13.849 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: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -140.579122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.579122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.579122 (E_RNA) where: Base-Base interactions energy: -96.568 where: short stacking energy: -45.481 Base-Backbone interact. energy: -0.139 local terms energy: -43.872062 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -8.719 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -8.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -83.466098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.466098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.466098 (E_RNA) where: Base-Base interactions energy: -35.820 where: short stacking energy: -35.820 Base-Backbone interact. energy: -0.093 local terms energy: -47.552625 where: bonds (distance) C4'-P energy: -10.246 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -7.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -218.438868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.438868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.438868 (E_RNA) where: Base-Base interactions energy: -147.012 where: short stacking energy: -66.810 Base-Backbone interact. energy: -0.617 local terms energy: -70.809734 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -15.476 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -17.651 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: 9 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -222.316724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.316724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.316724 (E_RNA) where: Base-Base interactions energy: -147.987 where: short stacking energy: -68.535 Base-Backbone interact. energy: -0.103 local terms energy: -74.226943 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -21.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -215.687175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.687175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.687175 (E_RNA) where: Base-Base interactions energy: -144.961 where: short stacking energy: -66.531 Base-Backbone interact. energy: 0.124 local terms energy: -70.849428 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -18.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -214.404675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.404675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.404675 (E_RNA) where: Base-Base interactions energy: -148.177 where: short stacking energy: -66.067 Base-Backbone interact. energy: -0.289 local terms energy: -65.938845 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -11.645 flat angles C4'-P-C4' energy: -15.258 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -19.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -199.665579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.665579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.665579 (E_RNA) where: Base-Base interactions energy: -133.379 where: short stacking energy: -53.303 Base-Backbone interact. energy: -0.106 local terms energy: -66.180772 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -12.189 flat angles C4'-P-C4' energy: -12.524 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -14.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -191.590374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.590374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.590374 (E_RNA) where: Base-Base interactions energy: -131.125 where: short stacking energy: -58.106 Base-Backbone interact. energy: -0.003 local terms energy: -60.462167 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -20.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -194.339036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.339036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.339036 (E_RNA) where: Base-Base interactions energy: -131.802 where: short stacking energy: -50.174 Base-Backbone interact. energy: -0.179 local terms energy: -62.357673 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -15.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -168.926459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.926459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.926459 (E_RNA) where: Base-Base interactions energy: -107.148 where: short stacking energy: -51.784 Base-Backbone interact. energy: -0.216 local terms energy: -61.561698 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -14.608 flat angles C4'-P-C4' energy: -10.258 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -14.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -166.848968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.848968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.848968 (E_RNA) where: Base-Base interactions energy: -118.983 where: short stacking energy: -44.921 Base-Backbone interact. energy: -0.214 local terms energy: -47.652046 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -9.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -69.423583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.423583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.423583 (E_RNA) where: Base-Base interactions energy: -20.831 where: short stacking energy: -17.864 Base-Backbone interact. energy: -0.070 local terms energy: -48.523319 where: bonds (distance) C4'-P energy: -13.133 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -10.461 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -1.846 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: 9 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -221.448942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.448942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.448942 (E_RNA) where: Base-Base interactions energy: -158.557 where: short stacking energy: -73.297 Base-Backbone interact. energy: -0.013 local terms energy: -62.879286 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -11.391 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -18.631 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: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -216.760617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.760617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.760617 (E_RNA) where: Base-Base interactions energy: -144.902 where: short stacking energy: -65.786 Base-Backbone interact. energy: -0.005 local terms energy: -71.853121 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -19.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -217.397318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.397318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.397318 (E_RNA) where: Base-Base interactions energy: -145.919 where: short stacking energy: -63.197 Base-Backbone interact. energy: -0.002 local terms energy: -71.475635 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -14.397 flat angles P-C4'-P energy: -9.575 tors. eta vs tors. theta energy: -17.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -214.051054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.051054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.051054 (E_RNA) where: Base-Base interactions energy: -146.749 where: short stacking energy: -69.223 Base-Backbone interact. energy: -0.446 local terms energy: -66.855744 where: bonds (distance) C4'-P energy: -9.754 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -12.783 flat angles P-C4'-P energy: -9.643 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: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -205.032015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.032015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.032015 (E_RNA) where: Base-Base interactions energy: -137.715 where: short stacking energy: -62.120 Base-Backbone interact. energy: -0.243 local terms energy: -67.074469 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -17.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -200.042885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.042885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.042885 (E_RNA) where: Base-Base interactions energy: -138.783 where: short stacking energy: -63.078 Base-Backbone interact. energy: -0.289 local terms energy: -60.970696 where: bonds (distance) C4'-P energy: -10.827 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -11.202 tors. eta vs tors. theta energy: -15.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -156.922007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.922007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.922007 (E_RNA) where: Base-Base interactions energy: -98.179 where: short stacking energy: -45.609 Base-Backbone interact. energy: -0.119 local terms energy: -58.624040 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -8.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -176.330041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.330041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.330041 (E_RNA) where: Base-Base interactions energy: -114.892 where: short stacking energy: -43.729 Base-Backbone interact. energy: -0.030 local terms energy: -61.408814 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -10.686 tors. eta vs tors. theta energy: -9.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -184.601873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.601873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.601873 (E_RNA) where: Base-Base interactions energy: -131.819 where: short stacking energy: -56.172 Base-Backbone interact. energy: -0.095 local terms energy: -52.687968 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -9.908 flat angles C4'-P-C4' energy: -8.753 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -12.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -72.475407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.475407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.475407 (E_RNA) where: Base-Base interactions energy: -38.177 where: short stacking energy: -25.057 Base-Backbone interact. energy: -0.115 local terms energy: -34.183239 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -13.351 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: 0.965 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -220.694824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.694824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.694824 (E_RNA) where: Base-Base interactions energy: -148.133 where: short stacking energy: -65.894 Base-Backbone interact. energy: -0.088 local terms energy: -72.474536 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -14.130 flat angles C4'-P-C4' energy: -11.570 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -18.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -221.579115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.579115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.579115 (E_RNA) where: Base-Base interactions energy: -147.076 where: short stacking energy: -64.677 Base-Backbone interact. energy: -0.252 local terms energy: -74.251716 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -15.638 flat angles C4'-P-C4' energy: -13.528 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -19.688 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: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -209.654603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.654603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.654603 (E_RNA) where: Base-Base interactions energy: -143.062 where: short stacking energy: -60.500 Base-Backbone interact. energy: -0.001 local terms energy: -66.592491 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -10.813 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -11.675 tors. eta vs tors. theta energy: -14.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -223.434792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.434792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.434792 (E_RNA) where: Base-Base interactions energy: -149.652 where: short stacking energy: -68.127 Base-Backbone interact. energy: -0.648 local terms energy: -73.134532 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -13.190 tors. eta vs tors. theta energy: -18.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -200.304902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.304902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.304902 (E_RNA) where: Base-Base interactions energy: -140.718 where: short stacking energy: -58.313 Base-Backbone interact. energy: -0.127 local terms energy: -59.459891 where: bonds (distance) C4'-P energy: -10.306 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -11.213 tors. eta vs tors. theta energy: -11.782 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: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -205.395926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.395926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.395926 (E_RNA) where: Base-Base interactions energy: -134.209 where: short stacking energy: -55.486 Base-Backbone interact. energy: -0.010 local terms energy: -71.176764 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -15.878 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: -18.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -203.329967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.329967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.329967 (E_RNA) where: Base-Base interactions energy: -145.544 where: short stacking energy: -65.051 Base-Backbone interact. energy: -0.355 local terms energy: -57.431301 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -9.123 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -189.492398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.492398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.492398 (E_RNA) where: Base-Base interactions energy: -132.083 where: short stacking energy: -56.172 Base-Backbone interact. energy: -0.058 local terms energy: -57.351279 where: bonds (distance) C4'-P energy: -9.994 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -9.712 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -14.304 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: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -139.799747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.799747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.799747 (E_RNA) where: Base-Base interactions energy: -87.699 where: short stacking energy: -43.593 Base-Backbone interact. energy: -0.004 local terms energy: -52.096096 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -11.314 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: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -91.438509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.438509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.438509 (E_RNA) where: Base-Base interactions energy: -44.528 where: short stacking energy: -34.213 Base-Backbone interact. energy: -0.088 local terms energy: -46.822172 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -10.388 flat angles P-C4'-P energy: -6.116 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -221.983039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.983039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.983039 (E_RNA) where: Base-Base interactions energy: -146.552 where: short stacking energy: -68.818 Base-Backbone interact. energy: -0.410 local terms energy: -75.021810 where: bonds (distance) C4'-P energy: -15.831 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -11.536 tors. eta vs tors. theta energy: -20.726 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: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -211.072901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.072901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.072901 (E_RNA) where: Base-Base interactions energy: -146.335 where: short stacking energy: -61.760 Base-Backbone interact. energy: -0.006 local terms energy: -64.731758 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -10.186 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -16.446 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: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -216.787452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.787452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.787452 (E_RNA) where: Base-Base interactions energy: -146.725 where: short stacking energy: -68.792 Base-Backbone interact. energy: -0.115 local terms energy: -69.947231 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -19.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -203.962595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.962595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.962595 (E_RNA) where: Base-Base interactions energy: -136.642 where: short stacking energy: -58.360 Base-Backbone interact. energy: -0.099 local terms energy: -67.220975 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -14.387 flat angles C4'-P-C4' energy: -15.184 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -15.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -202.729499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.729499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.729499 (E_RNA) where: Base-Base interactions energy: -138.816 where: short stacking energy: -64.750 Base-Backbone interact. energy: -0.335 local terms energy: -63.578538 where: bonds (distance) C4'-P energy: -15.153 bonds (distance) P-C4' energy: -9.651 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -17.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -209.730458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.730458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.730458 (E_RNA) where: Base-Base interactions energy: -142.637 where: short stacking energy: -60.383 Base-Backbone interact. energy: -0.055 local terms energy: -67.038636 where: bonds (distance) C4'-P energy: -10.855 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -11.847 tors. eta vs tors. theta energy: -16.787 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: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -189.345716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.345716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.345716 (E_RNA) where: Base-Base interactions energy: -129.680 where: short stacking energy: -53.926 Base-Backbone interact. energy: 1.922 local terms energy: -61.588042 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -13.605 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: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -194.335227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.335227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.335227 (E_RNA) where: Base-Base interactions energy: -139.320 where: short stacking energy: -57.547 Base-Backbone interact. energy: -0.070 local terms energy: -54.945270 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -11.879 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -18.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -151.454180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.454180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.454180 (E_RNA) where: Base-Base interactions energy: -94.150 where: short stacking energy: -43.523 Base-Backbone interact. energy: -0.162 local terms energy: -57.142479 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -11.798 flat angles C4'-P-C4' energy: -11.879 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -12.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -74.190619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.190619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.190619 (E_RNA) where: Base-Base interactions energy: -31.650 where: short stacking energy: -31.650 Base-Backbone interact. energy: -0.146 local terms energy: -42.395518 where: bonds (distance) C4'-P energy: -11.225 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -226.550345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.550345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.550345 (E_RNA) where: Base-Base interactions energy: -149.446 where: short stacking energy: -66.956 Base-Backbone interact. energy: -2.037 local terms energy: -75.067654 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -16.551 flat angles C4'-P-C4' energy: -14.178 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -21.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -215.274094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.274094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.274094 (E_RNA) where: Base-Base interactions energy: -145.910 where: short stacking energy: -64.594 Base-Backbone interact. energy: -0.001 local terms energy: -69.362888 where: bonds (distance) C4'-P energy: -9.934 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -11.462 tors. eta vs tors. theta energy: -18.108 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: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -207.917491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.917491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.917491 (E_RNA) where: Base-Base interactions energy: -145.523 where: short stacking energy: -63.382 Base-Backbone interact. energy: -0.715 local terms energy: -61.679422 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -15.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -213.063735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.063735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.063735 (E_RNA) where: Base-Base interactions energy: -145.584 where: short stacking energy: -62.215 Base-Backbone interact. energy: -0.508 local terms energy: -66.971063 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -12.286 tors. eta vs tors. theta energy: -17.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -216.598078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.598078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.598078 (E_RNA) where: Base-Base interactions energy: -142.442 where: short stacking energy: -62.972 Base-Backbone interact. energy: -0.290 local terms energy: -73.866257 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -15.327 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -22.251 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: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -202.404354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.404354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.404354 (E_RNA) where: Base-Base interactions energy: -142.554 where: short stacking energy: -64.707 Base-Backbone interact. energy: -0.128 local terms energy: -59.722156 where: bonds (distance) C4'-P energy: -4.963 bonds (distance) P-C4' energy: -10.715 flat angles C4'-P-C4' energy: -15.153 flat angles P-C4'-P energy: -12.105 tors. eta vs tors. theta energy: -16.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -192.294795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.294795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.294795 (E_RNA) where: Base-Base interactions energy: -135.987 where: short stacking energy: -53.494 Base-Backbone interact. energy: -0.058 local terms energy: -56.249915 where: bonds (distance) C4'-P energy: -8.685 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -7.815 tors. eta vs tors. theta energy: -13.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -195.384087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.384087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.384087 (E_RNA) where: Base-Base interactions energy: -134.092 where: short stacking energy: -54.104 Base-Backbone interact. energy: -0.009 local terms energy: -61.282635 where: bonds (distance) C4'-P energy: -12.117 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -14.874 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: -10.851 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: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -148.166043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.166043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.166043 (E_RNA) where: Base-Base interactions energy: -102.084 where: short stacking energy: -34.038 Base-Backbone interact. energy: -0.265 local terms energy: -45.816565 where: bonds (distance) C4'-P energy: -8.452 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -81.218994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.218994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.218994 (E_RNA) where: Base-Base interactions energy: -34.544 where: short stacking energy: -24.098 Base-Backbone interact. energy: -0.284 local terms energy: -46.390664 where: bonds (distance) C4'-P energy: -9.388 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -13.068 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -221.322510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.322510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.322510 (E_RNA) where: Base-Base interactions energy: -145.668 where: short stacking energy: -65.398 Base-Backbone interact. energy: -0.041 local terms energy: -75.614364 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -21.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -220.172122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.172122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.172122 (E_RNA) where: Base-Base interactions energy: -146.594 where: short stacking energy: -64.894 Base-Backbone interact. energy: 1.088 local terms energy: -74.665445 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -13.657 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -18.979 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: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -222.622470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.622470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.622470 (E_RNA) where: Base-Base interactions energy: -145.111 where: short stacking energy: -66.491 Base-Backbone interact. energy: -0.019 local terms energy: -77.492480 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -17.322 flat angles P-C4'-P energy: -11.857 tors. eta vs tors. theta energy: -17.780 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: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -204.475951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.475951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.475951 (E_RNA) where: Base-Base interactions energy: -137.374 where: short stacking energy: -63.673 Base-Backbone interact. energy: 0.351 local terms energy: -67.453729 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -206.869234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.869234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.869234 (E_RNA) where: Base-Base interactions energy: -139.644 where: short stacking energy: -64.447 Base-Backbone interact. energy: -0.021 local terms energy: -67.204261 where: bonds (distance) C4'-P energy: -15.364 bonds (distance) P-C4' energy: -11.447 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -15.339 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: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -208.059810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.059810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.059810 (E_RNA) where: Base-Base interactions energy: -144.824 where: short stacking energy: -67.826 Base-Backbone interact. energy: -0.015 local terms energy: -63.221169 where: bonds (distance) C4'-P energy: -9.987 bonds (distance) P-C4' energy: -10.120 flat angles C4'-P-C4' energy: -15.120 flat angles P-C4'-P energy: -8.264 tors. eta vs tors. theta energy: -19.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -203.203458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.203458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.203458 (E_RNA) where: Base-Base interactions energy: -145.474 where: short stacking energy: -58.309 Base-Backbone interact. energy: -0.000 local terms energy: -57.728718 where: bonds (distance) C4'-P energy: -10.573 bonds (distance) P-C4' energy: -13.027 flat angles C4'-P-C4' energy: -12.515 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -15.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -200.352665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.352665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.352665 (E_RNA) where: Base-Base interactions energy: -146.132 where: short stacking energy: -67.878 Base-Backbone interact. energy: -0.639 local terms energy: -53.582039 where: bonds (distance) C4'-P energy: -7.161 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -17.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -143.888722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.888722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.888722 (E_RNA) where: Base-Base interactions energy: -95.392 where: short stacking energy: -49.372 Base-Backbone interact. energy: -1.547 local terms energy: -46.949753 where: bonds (distance) C4'-P energy: -10.210 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -10.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -75.363876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.363876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.363876 (E_RNA) where: Base-Base interactions energy: -34.253 where: short stacking energy: -30.344 Base-Backbone interact. energy: 0.007 local terms energy: -41.118264 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -12.537 flat angles C4'-P-C4' energy: -10.963 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -225.892842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.892842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.892842 (E_RNA) where: Base-Base interactions energy: -151.606 where: short stacking energy: -68.072 Base-Backbone interact. energy: -0.006 local terms energy: -74.280950 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -12.221 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -11.896 tors. eta vs tors. theta energy: -19.980 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: 9 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -217.369574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.369574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.369574 (E_RNA) where: Base-Base interactions energy: -144.103 where: short stacking energy: -59.485 Base-Backbone interact. energy: -0.010 local terms energy: -73.257045 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -16.953 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -18.023 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: 435 Temperature: 1.000000 Total energy: -212.793395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.793395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.793395 (E_RNA) where: Base-Base interactions energy: -146.343 where: short stacking energy: -61.160 Base-Backbone interact. energy: -0.257 local terms energy: -66.193298 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -9.794 flat angles C4'-P-C4' energy: -16.301 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -17.750 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: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -219.228878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.228878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.228878 (E_RNA) where: Base-Base interactions energy: -146.814 where: short stacking energy: -68.466 Base-Backbone interact. energy: -0.134 local terms energy: -72.281325 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -9.947 flat angles C4'-P-C4' energy: -16.321 flat angles P-C4'-P energy: -12.644 tors. eta vs tors. theta energy: -20.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -206.636274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.636274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.636274 (E_RNA) where: Base-Base interactions energy: -152.475 where: short stacking energy: -65.775 Base-Backbone interact. energy: -0.284 local terms energy: -53.877873 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -11.490 flat angles C4'-P-C4' energy: -10.692 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -15.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -195.923085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.923085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.923085 (E_RNA) where: Base-Base interactions energy: -134.383 where: short stacking energy: -55.131 Base-Backbone interact. energy: -1.581 local terms energy: -59.959201 where: bonds (distance) C4'-P energy: -9.107 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -16.277 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: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -196.489285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.489285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.489285 (E_RNA) where: Base-Base interactions energy: -134.813 where: short stacking energy: -57.249 Base-Backbone interact. energy: -0.332 local terms energy: -61.343726 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -9.777 flat angles C4'-P-C4' energy: -14.271 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -15.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -185.919125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.919125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.919125 (E_RNA) where: Base-Base interactions energy: -133.454 where: short stacking energy: -51.866 Base-Backbone interact. energy: -0.081 local terms energy: -52.383715 where: bonds (distance) C4'-P energy: -10.806 bonds (distance) P-C4' energy: -14.758 flat angles C4'-P-C4' energy: -9.967 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -11.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -183.193028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.193028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.193028 (E_RNA) where: Base-Base interactions energy: -126.184 where: short stacking energy: -51.931 Base-Backbone interact. energy: -0.208 local terms energy: -56.800643 where: bonds (distance) C4'-P energy: -11.323 bonds (distance) P-C4' energy: -9.466 flat angles C4'-P-C4' energy: -9.986 flat angles P-C4'-P energy: -10.146 tors. eta vs tors. theta energy: -15.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -72.253181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.253181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.253181 (E_RNA) where: Base-Base interactions energy: -30.991 where: short stacking energy: -30.991 Base-Backbone interact. energy: -0.145 local terms energy: -41.116369 where: bonds (distance) C4'-P energy: -10.934 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -9.742 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -0.257 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: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -221.984324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.984324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.984324 (E_RNA) where: Base-Base interactions energy: -155.797 where: short stacking energy: -66.975 Base-Backbone interact. energy: -0.004 local terms energy: -66.182992 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -20.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -221.924598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.924598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.924598 (E_RNA) where: Base-Base interactions energy: -150.638 where: short stacking energy: -67.366 Base-Backbone interact. energy: -0.519 local terms energy: -70.767388 where: bonds (distance) C4'-P energy: -10.910 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -15.464 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -18.938 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: 3, replica: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -216.810410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.810410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.810410 (E_RNA) where: Base-Base interactions energy: -146.870 where: short stacking energy: -64.201 Base-Backbone interact. energy: -0.001 local terms energy: -69.940067 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -11.185 tors. eta vs tors. theta energy: -19.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -208.388923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.388923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.388923 (E_RNA) where: Base-Base interactions energy: -141.375 where: short stacking energy: -57.541 Base-Backbone interact. energy: -0.512 local terms energy: -66.501795 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -13.633 flat angles C4'-P-C4' energy: -16.033 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: -16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -207.886450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.886450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.886450 (E_RNA) where: Base-Base interactions energy: -140.391 where: short stacking energy: -58.668 Base-Backbone interact. energy: -0.068 local terms energy: -67.428026 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -17.884 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: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -179.032258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.032258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.032258 (E_RNA) where: Base-Base interactions energy: -126.681 where: short stacking energy: -59.067 Base-Backbone interact. energy: -0.045 local terms energy: -52.305785 where: bonds (distance) C4'-P energy: -8.306 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -13.934 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: 436 Temperature: 1.200000 Total energy: -198.486230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.486230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.486230 (E_RNA) where: Base-Base interactions energy: -143.904 where: short stacking energy: -57.237 Base-Backbone interact. energy: -0.073 local terms energy: -54.508908 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -9.654 flat angles C4'-P-C4' energy: -8.780 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -13.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -153.437919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.437919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.437919 (E_RNA) where: Base-Base interactions energy: -99.024 where: short stacking energy: -42.855 Base-Backbone interact. energy: -0.108 local terms energy: -54.306089 where: bonds (distance) C4'-P energy: -13.949 bonds (distance) P-C4' energy: -11.871 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -9.339 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: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -179.949925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.949925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.949925 (E_RNA) where: Base-Base interactions energy: -131.019 where: short stacking energy: -51.611 Base-Backbone interact. energy: -0.110 local terms energy: -48.821417 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -8.887 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -11.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -80.322880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.322880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.322880 (E_RNA) where: Base-Base interactions energy: -29.969 where: short stacking energy: -26.177 Base-Backbone interact. energy: -0.205 local terms energy: -50.149288 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -224.052304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.052304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.052304 (E_RNA) where: Base-Base interactions energy: -152.450 where: short stacking energy: -68.345 Base-Backbone interact. energy: -0.240 local terms energy: -71.362410 where: bonds (distance) C4'-P energy: -8.931 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -17.478 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -19.343 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: 2, replica: 7 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -217.875356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.875356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.875356 (E_RNA) where: Base-Base interactions energy: -145.724 where: short stacking energy: -66.957 Base-Backbone interact. energy: -0.004 local terms energy: -72.147398 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -16.319 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -9.452 tors. eta vs tors. theta energy: -18.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -215.742565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.742565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.742565 (E_RNA) where: Base-Base interactions energy: -149.528 where: short stacking energy: -63.183 Base-Backbone interact. energy: -0.076 local terms energy: -66.138746 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -7.393 tors. eta vs tors. theta energy: -17.957 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: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -216.839312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.839312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.839312 (E_RNA) where: Base-Base interactions energy: -147.672 where: short stacking energy: -66.405 Base-Backbone interact. energy: -0.613 local terms energy: -68.554026 where: bonds (distance) C4'-P energy: -10.238 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -11.566 tors. eta vs tors. theta energy: -20.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -205.854379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.854379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.854379 (E_RNA) where: Base-Base interactions energy: -140.670 where: short stacking energy: -58.810 Base-Backbone interact. energy: -0.002 local terms energy: -65.181544 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -9.413 flat angles P-C4'-P energy: -7.707 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: 6, replica: 3 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -198.874268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.874268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.874268 (E_RNA) where: Base-Base interactions energy: -140.049 where: short stacking energy: -57.964 Base-Backbone interact. energy: -0.321 local terms energy: -58.504448 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -11.643 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -14.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -195.895679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.895679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.895679 (E_RNA) where: Base-Base interactions energy: -143.915 where: short stacking energy: -63.638 Base-Backbone interact. energy: -0.013 local terms energy: -51.967329 where: bonds (distance) C4'-P energy: -9.481 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -10.633 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -14.948 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: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -194.143237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.143237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.143237 (E_RNA) where: Base-Base interactions energy: -133.980 where: short stacking energy: -53.593 Base-Backbone interact. energy: -0.337 local terms energy: -59.826306 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -13.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -171.094520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.094520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.094520 (E_RNA) where: Base-Base interactions energy: -113.560 where: short stacking energy: -50.297 Base-Backbone interact. energy: 0.036 local terms energy: -57.570516 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -16.203 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: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -79.829156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.829156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.829156 (E_RNA) where: Base-Base interactions energy: -39.721 where: short stacking energy: -30.517 Base-Backbone interact. energy: 1.141 local terms energy: -41.249265 where: bonds (distance) C4'-P energy: -14.660 bonds (distance) P-C4' energy: -10.171 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -221.934573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.934573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.934573 (E_RNA) where: Base-Base interactions energy: -154.369 where: short stacking energy: -70.816 Base-Backbone interact. energy: -0.003 local terms energy: -67.562509 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -19.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -219.243542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.243542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.243542 (E_RNA) where: Base-Base interactions energy: -147.358 where: short stacking energy: -65.633 Base-Backbone interact. energy: -0.227 local terms energy: -71.658518 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -11.654 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: 3, replica: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -215.451700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.451700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.451700 (E_RNA) where: Base-Base interactions energy: -147.991 where: short stacking energy: -65.423 Base-Backbone interact. energy: -0.173 local terms energy: -67.286841 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -13.470 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -16.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -214.482690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.482690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.482690 (E_RNA) where: Base-Base interactions energy: -145.755 where: short stacking energy: -60.912 Base-Backbone interact. energy: -0.289 local terms energy: -68.438406 where: bonds (distance) C4'-P energy: -12.825 bonds (distance) P-C4' energy: -15.169 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -17.200 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: 5, replica: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -205.991314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.991314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.991314 (E_RNA) where: Base-Base interactions energy: -149.567 where: short stacking energy: -58.882 Base-Backbone interact. energy: -0.101 local terms energy: -56.323738 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -7.166 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -15.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -203.425974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.425974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.425974 (E_RNA) where: Base-Base interactions energy: -139.128 where: short stacking energy: -57.473 Base-Backbone interact. energy: -0.867 local terms energy: -63.431307 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -10.629 flat angles P-C4'-P energy: -12.305 tors. eta vs tors. theta energy: -17.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -192.810673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.810673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.810673 (E_RNA) where: Base-Base interactions energy: -135.777 where: short stacking energy: -57.112 Base-Backbone interact. energy: -0.098 local terms energy: -56.935691 where: bonds (distance) C4'-P energy: -9.281 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -10.405 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -14.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -199.209261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.209261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.209261 (E_RNA) where: Base-Base interactions energy: -137.247 where: short stacking energy: -57.994 Base-Backbone interact. energy: 0.516 local terms energy: -62.479018 where: bonds (distance) C4'-P energy: -14.195 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -13.991 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: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -162.719500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.719500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.719500 (E_RNA) where: Base-Base interactions energy: -106.346 where: short stacking energy: -47.695 Base-Backbone interact. energy: -0.115 local terms energy: -56.258720 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -9.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -70.819699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.819699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.819699 (E_RNA) where: Base-Base interactions energy: -24.370 where: short stacking energy: -24.370 Base-Backbone interact. energy: -0.155 local terms energy: -46.294889 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -7.182 tors. eta vs tors. theta energy: 0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -225.497449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.497449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.497449 (E_RNA) where: Base-Base interactions energy: -153.653 where: short stacking energy: -67.749 Base-Backbone interact. energy: -0.020 local terms energy: -71.824125 where: bonds (distance) C4'-P energy: -13.957 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -19.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -220.393965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.393965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.393965 (E_RNA) where: Base-Base interactions energy: -146.387 where: short stacking energy: -62.544 Base-Backbone interact. energy: -0.414 local terms energy: -73.593034 where: bonds (distance) C4'-P energy: -12.606 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -11.445 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -209.623540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.623540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.623540 (E_RNA) where: Base-Base interactions energy: -138.549 where: short stacking energy: -60.915 Base-Backbone interact. energy: -0.083 local terms energy: -70.991957 where: bonds (distance) C4'-P energy: -15.973 bonds (distance) P-C4' energy: -11.586 flat angles C4'-P-C4' energy: -14.820 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -18.596 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: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -202.114802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.114802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.114802 (E_RNA) where: Base-Base interactions energy: -137.509 where: short stacking energy: -61.706 Base-Backbone interact. energy: -0.045 local terms energy: -64.560485 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -15.127 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -15.773 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: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -209.175530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.175530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.175530 (E_RNA) where: Base-Base interactions energy: -142.087 where: short stacking energy: -62.519 Base-Backbone interact. energy: 1.117 local terms energy: -68.205177 where: bonds (distance) C4'-P energy: -15.091 bonds (distance) P-C4' energy: -11.930 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -13.579 tors. eta vs tors. theta energy: -14.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -199.904672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.904672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.904672 (E_RNA) where: Base-Base interactions energy: -140.865 where: short stacking energy: -55.352 Base-Backbone interact. energy: -0.213 local terms energy: -58.826678 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -10.223 flat angles C4'-P-C4' energy: -10.789 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -19.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -207.278785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.278785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.278785 (E_RNA) where: Base-Base interactions energy: -143.079 where: short stacking energy: -63.790 Base-Backbone interact. energy: -0.019 local terms energy: -64.180309 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -13.203 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -18.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -196.148817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.148817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.148817 (E_RNA) where: Base-Base interactions energy: -137.208 where: short stacking energy: -55.076 Base-Backbone interact. energy: -0.010 local terms energy: -58.930836 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -8.417 flat angles C4'-P-C4' energy: -14.581 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -16.419 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: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -157.291559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.291559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.291559 (E_RNA) where: Base-Base interactions energy: -100.702 where: short stacking energy: -40.766 Base-Backbone interact. energy: -0.015 local terms energy: -56.573793 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -11.548 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -10.380 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: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -67.657756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.657756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.657756 (E_RNA) where: Base-Base interactions energy: -29.927 where: short stacking energy: -27.510 Base-Backbone interact. energy: -0.082 local terms energy: -37.648553 where: bonds (distance) C4'-P energy: -7.884 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -226.964049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.964049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.964049 (E_RNA) where: Base-Base interactions energy: -154.420 where: short stacking energy: -70.990 Base-Backbone interact. energy: -0.037 local terms energy: -72.506914 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -19.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -218.297485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.297485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.297485 (E_RNA) where: Base-Base interactions energy: -150.086 where: short stacking energy: -63.280 Base-Backbone interact. energy: -0.605 local terms energy: -67.607353 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -12.605 tors. eta vs tors. theta energy: -17.823 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: 440 Temperature: 1.000000 Total energy: -213.856549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.856549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.856549 (E_RNA) where: Base-Base interactions energy: -149.889 where: short stacking energy: -64.486 Base-Backbone interact. energy: -0.293 local terms energy: -63.674954 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -11.136 flat angles C4'-P-C4' energy: -9.985 flat angles P-C4'-P energy: -12.109 tors. eta vs tors. theta energy: -18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -212.827932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.827932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.827932 (E_RNA) where: Base-Base interactions energy: -141.396 where: short stacking energy: -61.696 Base-Backbone interact. energy: -0.810 local terms energy: -70.622086 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -10.961 tors. eta vs tors. theta energy: -20.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -201.572496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.572496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.572496 (E_RNA) where: Base-Base interactions energy: -141.949 where: short stacking energy: -60.501 Base-Backbone interact. energy: -0.167 local terms energy: -59.456475 where: bonds (distance) C4'-P energy: -11.915 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -18.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -201.519499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.519499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.519499 (E_RNA) where: Base-Base interactions energy: -128.585 where: short stacking energy: -57.713 Base-Backbone interact. energy: -0.284 local terms energy: -72.650252 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -18.998 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: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -201.903187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.903187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.903187 (E_RNA) where: Base-Base interactions energy: -140.891 where: short stacking energy: -60.758 Base-Backbone interact. energy: -0.001 local terms energy: -61.011642 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -10.912 flat angles C4'-P-C4' energy: -11.396 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -14.554 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: 8, replica: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -195.693883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.693883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.693883 (E_RNA) where: Base-Base interactions energy: -134.957 where: short stacking energy: -53.522 Base-Backbone interact. energy: -0.012 local terms energy: -60.724745 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -12.219 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -15.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -160.300079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.300079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.300079 (E_RNA) where: Base-Base interactions energy: -103.314 where: short stacking energy: -52.330 Base-Backbone interact. energy: -0.159 local terms energy: -56.826855 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -9.234 tors. eta vs tors. theta energy: -10.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -72.515468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.515468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.515468 (E_RNA) where: Base-Base interactions energy: -28.186 where: short stacking energy: -26.947 Base-Backbone interact. energy: -0.278 local terms energy: -44.052057 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -14.431 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: 4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -224.077328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.077328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.077328 (E_RNA) where: Base-Base interactions energy: -151.968 where: short stacking energy: -67.183 Base-Backbone interact. energy: -0.006 local terms energy: -72.103388 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -20.904 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: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -219.472709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.472709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.472709 (E_RNA) where: Base-Base interactions energy: -148.683 where: short stacking energy: -65.550 Base-Backbone interact. energy: -0.020 local terms energy: -70.769622 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -18.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -217.151251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.151251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.151251 (E_RNA) where: Base-Base interactions energy: -150.178 where: short stacking energy: -65.735 Base-Backbone interact. energy: -0.130 local terms energy: -66.843510 where: bonds (distance) C4'-P energy: -13.873 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -18.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -207.702437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.702437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.702437 (E_RNA) where: Base-Base interactions energy: -146.107 where: short stacking energy: -61.363 Base-Backbone interact. energy: -0.142 local terms energy: -61.453447 where: bonds (distance) C4'-P energy: -10.897 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -12.432 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: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -199.414452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.414452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.414452 (E_RNA) where: Base-Base interactions energy: -141.830 where: short stacking energy: -57.309 Base-Backbone interact. energy: -2.185 local terms energy: -55.398557 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -10.926 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: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -200.765188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.765188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.765188 (E_RNA) where: Base-Base interactions energy: -130.332 where: short stacking energy: -55.049 Base-Backbone interact. energy: -0.075 local terms energy: -70.358527 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -18.263 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: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -198.941303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.941303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.941303 (E_RNA) where: Base-Base interactions energy: -139.681 where: short stacking energy: -56.807 Base-Backbone interact. energy: -0.005 local terms energy: -59.255614 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -10.632 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -13.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -192.384965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.384965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.384965 (E_RNA) where: Base-Base interactions energy: -127.369 where: short stacking energy: -50.736 Base-Backbone interact. energy: -0.017 local terms energy: -64.999031 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -16.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -198.438556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.438556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.438556 (E_RNA) where: Base-Base interactions energy: -142.054 where: short stacking energy: -58.468 Base-Backbone interact. energy: 0.114 local terms energy: -56.499011 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -9.235 flat angles C4'-P-C4' energy: -10.140 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -17.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -80.570538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.570538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.570538 (E_RNA) where: Base-Base interactions energy: -35.050 where: short stacking energy: -35.550 Base-Backbone interact. energy: -0.151 local terms energy: -45.369757 where: bonds (distance) C4'-P energy: -10.806 bonds (distance) P-C4' energy: -12.565 flat angles C4'-P-C4' energy: -8.494 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -3.310 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: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -216.786535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.786535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.786535 (E_RNA) where: Base-Base interactions energy: -143.024 where: short stacking energy: -61.463 Base-Backbone interact. energy: 0.190 local terms energy: -73.953120 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -13.731 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -13.019 tors. eta vs tors. theta energy: -17.884 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: 442 Temperature: 0.950000 Total energy: -221.184273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.184273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.184273 (E_RNA) where: Base-Base interactions energy: -149.354 where: short stacking energy: -65.210 Base-Backbone interact. energy: -0.033 local terms energy: -71.797409 where: bonds (distance) C4'-P energy: -13.935 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -15.940 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -19.263 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: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -217.271623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.271623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.271623 (E_RNA) where: Base-Base interactions energy: -148.919 where: short stacking energy: -62.929 Base-Backbone interact. energy: -0.048 local terms energy: -68.304836 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -7.749 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: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -208.723936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.723936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.723936 (E_RNA) where: Base-Base interactions energy: -145.628 where: short stacking energy: -57.933 Base-Backbone interact. energy: -0.001 local terms energy: -63.095232 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -12.283 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: 5, replica: 10 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -211.105713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.105713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.105713 (E_RNA) where: Base-Base interactions energy: -144.132 where: short stacking energy: -62.330 Base-Backbone interact. energy: -0.010 local terms energy: -66.964010 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -11.020 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -16.503 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: 2 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -192.191397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.191397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.191397 (E_RNA) where: Base-Base interactions energy: -138.033 where: short stacking energy: -56.342 Base-Backbone interact. energy: -0.430 local terms energy: -53.728217 where: bonds (distance) C4'-P energy: -9.622 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -8.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -204.362337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.362337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.362337 (E_RNA) where: Base-Base interactions energy: -136.526 where: short stacking energy: -58.571 Base-Backbone interact. energy: 1.444 local terms energy: -69.280934 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -15.780 flat angles P-C4'-P energy: -11.800 tors. eta vs tors. theta energy: -17.486 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: 442 Temperature: 1.250000 Total energy: -183.953295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.953295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.953295 (E_RNA) where: Base-Base interactions energy: -128.736 where: short stacking energy: -47.878 Base-Backbone interact. energy: -0.356 local terms energy: -54.861434 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: -7.015 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: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -193.740904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.740904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.740904 (E_RNA) where: Base-Base interactions energy: -126.622 where: short stacking energy: -49.735 Base-Backbone interact. energy: -0.026 local terms energy: -67.092280 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -15.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -75.414153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.414153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.414153 (E_RNA) where: Base-Base interactions energy: -25.428 where: short stacking energy: -25.428 Base-Backbone interact. energy: -0.146 local terms energy: -49.840679 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -213.017169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.017169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.017169 (E_RNA) where: Base-Base interactions energy: -146.828 where: short stacking energy: -57.732 Base-Backbone interact. energy: -0.195 local terms energy: -65.994572 where: bonds (distance) C4'-P energy: -11.253 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -13.594 tors. eta vs tors. theta energy: -16.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -218.888418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.888418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.888418 (E_RNA) where: Base-Base interactions energy: -150.939 where: short stacking energy: -68.450 Base-Backbone interact. energy: -0.001 local terms energy: -67.948472 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -10.626 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -18.475 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: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -214.656670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.656670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.656670 (E_RNA) where: Base-Base interactions energy: -142.153 where: short stacking energy: -64.119 Base-Backbone interact. energy: -0.158 local terms energy: -72.345132 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -15.935 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -16.192 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: 10 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -209.684743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.684743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.684743 (E_RNA) where: Base-Base interactions energy: -138.458 where: short stacking energy: -57.367 Base-Backbone interact. energy: -0.010 local terms energy: -71.216258 where: bonds (distance) C4'-P energy: -13.463 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -17.276 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -14.602 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: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -211.839693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.839693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.839693 (E_RNA) where: Base-Base interactions energy: -144.116 where: short stacking energy: -62.896 Base-Backbone interact. energy: -0.269 local terms energy: -67.454299 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -20.372 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: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -203.095962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.095962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.095962 (E_RNA) where: Base-Base interactions energy: -139.333 where: short stacking energy: -53.862 Base-Backbone interact. energy: -0.036 local terms energy: -63.727161 where: bonds (distance) C4'-P energy: -11.526 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -13.370 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -18.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -192.491292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.491292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.491292 (E_RNA) where: Base-Base interactions energy: -130.154 where: short stacking energy: -60.230 Base-Backbone interact. energy: -0.082 local terms energy: -62.255035 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -11.794 tors. eta vs tors. theta energy: -13.878 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: 3 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -195.565142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.565142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.565142 (E_RNA) where: Base-Base interactions energy: -132.862 where: short stacking energy: -53.011 Base-Backbone interact. energy: -0.016 local terms energy: -62.686688 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -12.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -153.403270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.403270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.403270 (E_RNA) where: Base-Base interactions energy: -95.701 where: short stacking energy: -38.902 Base-Backbone interact. energy: -0.152 local terms energy: -57.549795 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -16.264 flat angles P-C4'-P energy: -8.619 tors. eta vs tors. theta energy: -7.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -69.356471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.356471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.356471 (E_RNA) where: Base-Base interactions energy: -30.936 where: short stacking energy: -30.936 Base-Backbone interact. energy: 0.724 local terms energy: -39.143894 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -216.524985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.524985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.524985 (E_RNA) where: Base-Base interactions energy: -148.472 where: short stacking energy: -63.841 Base-Backbone interact. energy: -0.002 local terms energy: -68.050837 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -12.216 tors. eta vs tors. theta energy: -17.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -219.279611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.279611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.279611 (E_RNA) where: Base-Base interactions energy: -148.327 where: short stacking energy: -64.027 Base-Backbone interact. energy: -0.021 local terms energy: -70.932032 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -10.516 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -10.993 tors. eta vs tors. theta energy: -20.003 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: 10 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -217.981233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.981233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.981233 (E_RNA) where: Base-Base interactions energy: -149.432 where: short stacking energy: -65.618 Base-Backbone interact. energy: -0.012 local terms energy: -68.536519 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -10.573 tors. eta vs tors. theta energy: -19.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -214.835725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.835725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.835725 (E_RNA) where: Base-Base interactions energy: -146.054 where: short stacking energy: -62.835 Base-Backbone interact. energy: -0.004 local terms energy: -68.777517 where: bonds (distance) C4'-P energy: -10.731 bonds (distance) P-C4' energy: -13.523 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -10.775 tors. eta vs tors. theta energy: -18.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -195.978286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.978286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.978286 (E_RNA) where: Base-Base interactions energy: -143.778 where: short stacking energy: -61.502 Base-Backbone interact. energy: -0.098 local terms energy: -52.102126 where: bonds (distance) C4'-P energy: -7.987 bonds (distance) P-C4' energy: -11.632 flat angles C4'-P-C4' energy: -10.177 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -13.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -207.737320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.737320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.737320 (E_RNA) where: Base-Base interactions energy: -137.885 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.096 local terms energy: -69.756150 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -12.520 tors. eta vs tors. theta energy: -18.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -199.862869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.862869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.862869 (E_RNA) where: Base-Base interactions energy: -135.189 where: short stacking energy: -55.025 Base-Backbone interact. energy: -0.059 local terms energy: -64.615540 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -15.501 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -15.550 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: 444 Temperature: 1.250000 Total energy: -185.755834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.755834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.755834 (E_RNA) where: Base-Base interactions energy: -131.266 where: short stacking energy: -53.893 Base-Backbone interact. energy: -0.205 local terms energy: -54.285201 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -12.102 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: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -76.732256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.732256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.732256 (E_RNA) where: Base-Base interactions energy: -42.260 where: short stacking energy: -18.381 Base-Backbone interact. energy: -0.356 local terms energy: -34.116312 where: bonds (distance) C4'-P energy: -9.866 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -138.435386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.435386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.435386 (E_RNA) where: Base-Base interactions energy: -96.504 where: short stacking energy: -45.176 Base-Backbone interact. energy: -0.037 local terms energy: -41.893979 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -6.292 flat angles C4'-P-C4' energy: -11.451 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -6.140 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: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -229.096360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.096360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.096360 (E_RNA) where: Base-Base interactions energy: -154.014 where: short stacking energy: -68.964 Base-Backbone interact. energy: -0.004 local terms energy: -75.078899 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -19.472 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: 445 Temperature: 0.950000 Total energy: -217.748664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.748664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.748664 (E_RNA) where: Base-Base interactions energy: -146.567 where: short stacking energy: -63.525 Base-Backbone interact. energy: -0.091 local terms energy: -71.090588 where: bonds (distance) C4'-P energy: -16.978 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -19.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -207.722656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.722656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.722656 (E_RNA) where: Base-Base interactions energy: -143.095 where: short stacking energy: -62.176 Base-Backbone interact. energy: -0.147 local terms energy: -64.480448 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -11.296 flat angles C4'-P-C4' energy: -15.054 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -201.719859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.719859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.719859 (E_RNA) where: Base-Base interactions energy: -142.124 where: short stacking energy: -56.812 Base-Backbone interact. energy: -0.095 local terms energy: -59.500546 where: bonds (distance) C4'-P energy: -9.836 bonds (distance) P-C4' energy: -9.655 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -15.191 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: 445 Temperature: 1.100000 Total energy: -209.265292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.265292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.265292 (E_RNA) where: Base-Base interactions energy: -137.919 where: short stacking energy: -60.407 Base-Backbone interact. energy: 0.329 local terms energy: -71.675144 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -12.768 tors. eta vs tors. theta energy: -19.126 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: 6, replica: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -206.589582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.589582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.589582 (E_RNA) where: Base-Base interactions energy: -145.206 where: short stacking energy: -63.940 Base-Backbone interact. energy: -0.002 local terms energy: -61.381967 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -10.839 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: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -197.979331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.979331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.979331 (E_RNA) where: Base-Base interactions energy: -135.707 where: short stacking energy: -48.269 Base-Backbone interact. energy: -0.116 local terms energy: -62.155506 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -15.568 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -13.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -187.585680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.585680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.585680 (E_RNA) where: Base-Base interactions energy: -126.305 where: short stacking energy: -51.909 Base-Backbone interact. energy: -0.103 local terms energy: -61.177900 where: bonds (distance) C4'-P energy: -12.482 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -14.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -107.104769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.104769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.104769 (E_RNA) where: Base-Base interactions energy: -60.259 where: short stacking energy: -39.867 Base-Backbone interact. energy: -0.092 local terms energy: -46.754008 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -11.670 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -3.235 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: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -65.029734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.029734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.029734 (E_RNA) where: Base-Base interactions energy: -24.716 where: short stacking energy: -20.328 Base-Backbone interact. energy: -0.029 local terms energy: -40.284541 where: bonds (distance) C4'-P energy: -9.696 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: 2.216 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: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -220.503143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.503143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.503143 (E_RNA) where: Base-Base interactions energy: -150.586 where: short stacking energy: -68.233 Base-Backbone interact. energy: -0.314 local terms energy: -69.602917 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -18.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -222.935182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.935182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.935182 (E_RNA) where: Base-Base interactions energy: -150.815 where: short stacking energy: -68.320 Base-Backbone interact. energy: -0.633 local terms energy: -71.487827 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -219.832950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.832950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.832950 (E_RNA) where: Base-Base interactions energy: -148.455 where: short stacking energy: -57.330 Base-Backbone interact. energy: -0.006 local terms energy: -71.371969 where: bonds (distance) C4'-P energy: -14.635 bonds (distance) P-C4' energy: -11.382 flat angles C4'-P-C4' energy: -17.413 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -18.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -210.988369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.988369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.988369 (E_RNA) where: Base-Base interactions energy: -139.106 where: short stacking energy: -57.926 Base-Backbone interact. energy: -1.320 local terms energy: -70.563089 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -15.836 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -16.916 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: 3 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -214.537526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.537526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.537526 (E_RNA) where: Base-Base interactions energy: -153.491 where: short stacking energy: -70.486 Base-Backbone interact. energy: -0.001 local terms energy: -61.046240 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -10.671 flat angles C4'-P-C4' energy: -11.245 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -16.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -197.318185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.318185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.318185 (E_RNA) where: Base-Base interactions energy: -140.166 where: short stacking energy: -57.890 Base-Backbone interact. energy: 1.149 local terms energy: -58.300651 where: bonds (distance) C4'-P energy: -11.276 bonds (distance) P-C4' energy: -11.998 flat angles C4'-P-C4' energy: -10.635 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -15.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -199.704277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.704277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.704277 (E_RNA) where: Base-Base interactions energy: -142.155 where: short stacking energy: -57.458 Base-Backbone interact. energy: -0.298 local terms energy: -57.251172 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -12.004 tors. eta vs tors. theta energy: -13.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -209.184997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.184997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.184997 (E_RNA) where: Base-Base interactions energy: -141.067 where: short stacking energy: -62.969 Base-Backbone interact. energy: -0.142 local terms energy: -67.975976 where: bonds (distance) C4'-P energy: -8.341 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -12.536 tors. eta vs tors. theta energy: -19.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -71.412073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.412073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.412073 (E_RNA) where: Base-Base interactions energy: -30.704 where: short stacking energy: -15.584 Base-Backbone interact. energy: -0.333 local terms energy: -40.375911 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: 6.360 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: 446 Temperature: 1.350000 Total energy: -65.520802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.520802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.520802 (E_RNA) where: Base-Base interactions energy: -19.675 where: short stacking energy: -19.673 Base-Backbone interact. energy: -0.208 local terms energy: -45.637460 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: 3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -223.872453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.872453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.872453 (E_RNA) where: Base-Base interactions energy: -147.702 where: short stacking energy: -66.048 Base-Backbone interact. energy: 0.686 local terms energy: -76.856838 where: bonds (distance) C4'-P energy: -15.017 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -13.226 flat angles P-C4'-P energy: -11.672 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: 2, replica: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -221.088045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.088045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.088045 (E_RNA) where: Base-Base interactions energy: -147.982 where: short stacking energy: -65.299 Base-Backbone interact. energy: -0.017 local terms energy: -73.088603 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -15.740 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -17.628 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: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -212.248816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.248816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.248816 (E_RNA) where: Base-Base interactions energy: -149.019 where: short stacking energy: -68.003 Base-Backbone interact. energy: -0.339 local terms energy: -62.890619 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -12.005 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -9.780 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: 4, replica: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -209.548794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.548794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.548794 (E_RNA) where: Base-Base interactions energy: -141.483 where: short stacking energy: -61.229 Base-Backbone interact. energy: -0.002 local terms energy: -68.063326 where: bonds (distance) C4'-P energy: -14.996 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -16.930 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: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -208.037171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.037171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.037171 (E_RNA) where: Base-Base interactions energy: -146.013 where: short stacking energy: -63.271 Base-Backbone interact. energy: -0.005 local terms energy: -62.019923 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -12.406 flat angles P-C4'-P energy: -7.271 tors. eta vs tors. theta energy: -19.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -199.528341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.528341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.528341 (E_RNA) where: Base-Base interactions energy: -129.729 where: short stacking energy: -54.304 Base-Backbone interact. energy: -0.048 local terms energy: -69.750595 where: bonds (distance) C4'-P energy: -14.358 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -18.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -193.718309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.718309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.718309 (E_RNA) where: Base-Base interactions energy: -129.422 where: short stacking energy: -54.599 Base-Backbone interact. energy: -0.107 local terms energy: -64.189606 where: bonds (distance) C4'-P energy: -13.054 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -10.043 flat angles P-C4'-P energy: -10.496 tors. eta vs tors. theta energy: -16.397 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: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -194.710188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.710188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.710188 (E_RNA) where: Base-Base interactions energy: -129.796 where: short stacking energy: -54.230 Base-Backbone interact. energy: -0.125 local terms energy: -64.789185 where: bonds (distance) C4'-P energy: -8.731 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -18.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -84.793069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.793069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.793069 (E_RNA) where: Base-Base interactions energy: -36.104 where: short stacking energy: -36.104 Base-Backbone interact. energy: -0.168 local terms energy: -48.520610 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -75.393030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.393030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.393030 (E_RNA) where: Base-Base interactions energy: -25.903 where: short stacking energy: -25.903 Base-Backbone interact. energy: -0.208 local terms energy: -49.281860 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -11.515 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -11.872 tors. eta vs tors. theta energy: -1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -224.680970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.680970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.680970 (E_RNA) where: Base-Base interactions energy: -150.018 where: short stacking energy: -63.418 Base-Backbone interact. energy: -0.010 local terms energy: -74.652423 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -12.819 tors. eta vs tors. theta energy: -20.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -213.492658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.492658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.492658 (E_RNA) where: Base-Base interactions energy: -146.162 where: short stacking energy: -59.561 Base-Backbone interact. energy: -0.020 local terms energy: -67.310599 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -20.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -217.909845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.909845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.909845 (E_RNA) where: Base-Base interactions energy: -148.943 where: short stacking energy: -64.115 Base-Backbone interact. energy: -0.007 local terms energy: -68.959859 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -19.625 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: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -213.237937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.237937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.237937 (E_RNA) where: Base-Base interactions energy: -144.397 where: short stacking energy: -62.016 Base-Backbone interact. energy: -0.124 local terms energy: -68.716917 where: bonds (distance) C4'-P energy: -8.348 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -13.790 tors. eta vs tors. theta energy: -18.484 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: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -212.496585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.496585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.496585 (E_RNA) where: Base-Base interactions energy: -144.147 where: short stacking energy: -70.430 Base-Backbone interact. energy: -0.007 local terms energy: -68.342697 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -12.555 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -21.251 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: 448 Temperature: 1.150000 Total energy: -215.649601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.649601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.649601 (E_RNA) where: Base-Base interactions energy: -145.360 where: short stacking energy: -63.905 Base-Backbone interact. energy: -0.722 local terms energy: -69.568067 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -8.683 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: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -201.573965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.573965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.573965 (E_RNA) where: Base-Base interactions energy: -139.274 where: short stacking energy: -56.319 Base-Backbone interact. energy: 0.333 local terms energy: -62.633187 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -15.272 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: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -196.549973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.549973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.549973 (E_RNA) where: Base-Base interactions energy: -130.068 where: short stacking energy: -50.427 Base-Backbone interact. energy: -0.516 local terms energy: -65.965649 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -13.146 flat angles C4'-P-C4' energy: -14.316 flat angles P-C4'-P energy: -12.843 tors. eta vs tors. theta energy: -11.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -70.878544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.878544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.878544 (E_RNA) where: Base-Base interactions energy: -23.244 where: short stacking energy: -23.384 Base-Backbone interact. energy: -0.096 local terms energy: -47.538271 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -73.002995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.002995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.002995 (E_RNA) where: Base-Base interactions energy: -29.922 where: short stacking energy: -29.922 Base-Backbone interact. energy: -0.082 local terms energy: -42.999742 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: -1.603 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: 8 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -221.101686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.101686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.101686 (E_RNA) where: Base-Base interactions energy: -151.377 where: short stacking energy: -68.889 Base-Backbone interact. energy: -0.011 local terms energy: -69.713489 where: bonds (distance) C4'-P energy: -12.080 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -10.634 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: 2, replica: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -216.090562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.090562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.090562 (E_RNA) where: Base-Base interactions energy: -145.917 where: short stacking energy: -62.530 Base-Backbone interact. energy: -0.294 local terms energy: -69.880244 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -12.289 tors. eta vs tors. theta energy: -17.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -215.048023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.048023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.048023 (E_RNA) where: Base-Base interactions energy: -147.570 where: short stacking energy: -64.480 Base-Backbone interact. energy: -0.003 local terms energy: -67.475796 where: bonds (distance) C4'-P energy: -11.442 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -18.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -210.688613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.688613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.688613 (E_RNA) where: Base-Base interactions energy: -148.133 where: short stacking energy: -67.082 Base-Backbone interact. energy: -0.084 local terms energy: -62.471409 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -15.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -196.256519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.256519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.256519 (E_RNA) where: Base-Base interactions energy: -132.832 where: short stacking energy: -51.488 Base-Backbone interact. energy: -0.405 local terms energy: -63.018900 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -14.376 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: 2 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -206.726293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.726293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.726293 (E_RNA) where: Base-Base interactions energy: -139.553 where: short stacking energy: -55.404 Base-Backbone interact. energy: -1.058 local terms energy: -66.114927 where: bonds (distance) C4'-P energy: -10.662 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -12.734 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -16.244 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: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -201.967409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.967409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.967409 (E_RNA) where: Base-Base interactions energy: -142.963 where: short stacking energy: -63.365 Base-Backbone interact. energy: -0.063 local terms energy: -58.941722 where: bonds (distance) C4'-P energy: -10.902 bonds (distance) P-C4' energy: -9.862 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -15.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -195.060701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.060701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.060701 (E_RNA) where: Base-Base interactions energy: -129.150 where: short stacking energy: -55.253 Base-Backbone interact. energy: -0.046 local terms energy: -65.864281 where: bonds (distance) C4'-P energy: -10.582 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -15.479 flat angles P-C4'-P energy: -11.506 tors. eta vs tors. theta energy: -15.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -80.513513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.513513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.513513 (E_RNA) where: Base-Base interactions energy: -34.245 where: short stacking energy: -34.245 Base-Backbone interact. energy: -0.003 local terms energy: -46.265364 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -9.639 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -4.929 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: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -72.124213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.124213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.124213 (E_RNA) where: Base-Base interactions energy: -28.608 where: short stacking energy: -28.608 Base-Backbone interact. energy: -0.098 local terms energy: -43.418664 where: bonds (distance) C4'-P energy: -8.574 bonds (distance) P-C4' energy: -10.023 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -2.115 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: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -218.510142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.510142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.510142 (E_RNA) where: Base-Base interactions energy: -144.801 where: short stacking energy: -65.760 Base-Backbone interact. energy: -0.073 local terms energy: -73.635777 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -13.996 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -20.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -219.511952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.511952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.511952 (E_RNA) where: Base-Base interactions energy: -147.389 where: short stacking energy: -68.874 Base-Backbone interact. energy: -0.191 local terms energy: -71.932074 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -11.567 tors. eta vs tors. theta energy: -19.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -216.794591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.794591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.794591 (E_RNA) where: Base-Base interactions energy: -152.178 where: short stacking energy: -71.536 Base-Backbone interact. energy: -0.363 local terms energy: -64.253902 where: bonds (distance) C4'-P energy: -9.787 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -11.241 tors. eta vs tors. theta energy: -18.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -210.341682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.341682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.341682 (E_RNA) where: Base-Base interactions energy: -141.852 where: short stacking energy: -61.023 Base-Backbone interact. energy: -0.024 local terms energy: -68.465569 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -17.242 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: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -206.817039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.817039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.817039 (E_RNA) where: Base-Base interactions energy: -140.302 where: short stacking energy: -55.254 Base-Backbone interact. energy: -0.041 local terms energy: -66.473808 where: bonds (distance) C4'-P energy: -12.345 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -10.685 tors. eta vs tors. theta energy: -18.027 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: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -195.606135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.606135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.606135 (E_RNA) where: Base-Base interactions energy: -140.189 where: short stacking energy: -55.996 Base-Backbone interact. energy: -0.677 local terms energy: -54.739870 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -9.234 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -13.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -205.780956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.780956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.780956 (E_RNA) where: Base-Base interactions energy: -142.932 where: short stacking energy: -59.102 Base-Backbone interact. energy: -0.053 local terms energy: -62.795621 where: bonds (distance) C4'-P energy: -15.439 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -15.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -187.348054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.348054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.348054 (E_RNA) where: Base-Base interactions energy: -124.168 where: short stacking energy: -47.458 Base-Backbone interact. energy: -1.066 local terms energy: -62.114167 where: bonds (distance) C4'-P energy: -15.356 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -12.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -82.056636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.056636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.056636 (E_RNA) where: Base-Base interactions energy: -38.983 where: short stacking energy: -32.956 Base-Backbone interact. energy: 2.609 local terms energy: -45.682267 where: bonds (distance) C4'-P energy: -7.950 bonds (distance) P-C4' energy: -10.535 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -73.017709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.017709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.017709 (E_RNA) where: Base-Base interactions energy: -30.226 where: short stacking energy: -30.226 Base-Backbone interact. energy: -0.117 local terms energy: -42.674334 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -222.907181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.907181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.907181 (E_RNA) where: Base-Base interactions energy: -151.337 where: short stacking energy: -67.583 Base-Backbone interact. energy: -0.156 local terms energy: -71.414271 where: bonds (distance) C4'-P energy: -10.873 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -15.377 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -20.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -219.850916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.850916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.850916 (E_RNA) where: Base-Base interactions energy: -148.428 where: short stacking energy: -65.596 Base-Backbone interact. energy: -0.006 local terms energy: -71.417431 where: bonds (distance) C4'-P energy: -15.203 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -20.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -211.517381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.517381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.517381 (E_RNA) where: Base-Base interactions energy: -151.705 where: short stacking energy: -63.038 Base-Backbone interact. energy: -0.018 local terms energy: -59.794446 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -17.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -211.089084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.089084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.089084 (E_RNA) where: Base-Base interactions energy: -145.586 where: short stacking energy: -67.640 Base-Backbone interact. energy: 0.124 local terms energy: -65.626932 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -11.259 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -17.432 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: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -205.843402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.843402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.843402 (E_RNA) where: Base-Base interactions energy: -140.235 where: short stacking energy: -62.726 Base-Backbone interact. energy: -0.009 local terms energy: -65.598900 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -16.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -201.085359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.085359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.085359 (E_RNA) where: Base-Base interactions energy: -140.879 where: short stacking energy: -63.445 Base-Backbone interact. energy: -0.095 local terms energy: -60.111616 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -7.433 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -15.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -199.762905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.762905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.762905 (E_RNA) where: Base-Base interactions energy: -134.182 where: short stacking energy: -59.096 Base-Backbone interact. energy: -0.041 local terms energy: -65.539436 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -11.296 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -18.207 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: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -171.137149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.137149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.137149 (E_RNA) where: Base-Base interactions energy: -108.488 where: short stacking energy: -50.131 Base-Backbone interact. energy: -0.001 local terms energy: -62.648185 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -11.633 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -13.609 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: 9, replica: 1 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -79.203500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.203500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.203500 (E_RNA) where: Base-Base interactions energy: -30.991 where: short stacking energy: -29.484 Base-Backbone interact. energy: -0.126 local terms energy: -48.086920 where: bonds (distance) C4'-P energy: -11.844 bonds (distance) P-C4' energy: -15.714 flat angles C4'-P-C4' energy: -10.057 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -70.869143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.869143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.869143 (E_RNA) where: Base-Base interactions energy: -31.885 where: short stacking energy: -31.985 Base-Backbone interact. energy: -0.027 local terms energy: -38.956988 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -0.221 tors. eta vs tors. theta energy: -1.287 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: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -220.441558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.441558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.441558 (E_RNA) where: Base-Base interactions energy: -149.704 where: short stacking energy: -69.733 Base-Backbone interact. energy: -0.002 local terms energy: -70.736019 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -16.290 flat angles C4'-P-C4' energy: -16.088 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -16.964 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: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -216.149733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.149733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.149733 (E_RNA) where: Base-Base interactions energy: -150.397 where: short stacking energy: -65.599 Base-Backbone interact. energy: -0.155 local terms energy: -65.598692 where: bonds (distance) C4'-P energy: -15.033 bonds (distance) P-C4' energy: -9.396 flat angles C4'-P-C4' energy: -14.336 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: -18.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -212.400481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.400481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.400481 (E_RNA) where: Base-Base interactions energy: -144.234 where: short stacking energy: -63.714 Base-Backbone interact. energy: -0.047 local terms energy: -68.119147 where: bonds (distance) C4'-P energy: -10.189 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -19.937 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: 4, replica: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -212.658940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.658940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.658940 (E_RNA) where: Base-Base interactions energy: -141.741 where: short stacking energy: -64.282 Base-Backbone interact. energy: -0.588 local terms energy: -70.329896 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -11.574 flat angles C4'-P-C4' energy: -15.556 flat angles P-C4'-P energy: -11.275 tors. eta vs tors. theta energy: -19.560 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: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -213.844871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.844871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.844871 (E_RNA) where: Base-Base interactions energy: -144.195 where: short stacking energy: -66.606 Base-Backbone interact. energy: -0.001 local terms energy: -69.649789 where: bonds (distance) C4'-P energy: -12.085 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -15.519 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -18.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -195.956370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.956370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.956370 (E_RNA) where: Base-Base interactions energy: -130.476 where: short stacking energy: -61.836 Base-Backbone interact. energy: -0.116 local terms energy: -65.364172 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -205.156805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.156805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.156805 (E_RNA) where: Base-Base interactions energy: -140.135 where: short stacking energy: -65.534 Base-Backbone interact. energy: -0.264 local terms energy: -64.758037 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -12.059 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: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -178.387674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.387674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.387674 (E_RNA) where: Base-Base interactions energy: -126.413 where: short stacking energy: -48.547 Base-Backbone interact. energy: 1.808 local terms energy: -53.782492 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -10.737 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -11.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -76.616173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.616173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.616173 (E_RNA) where: Base-Base interactions energy: -48.255 where: short stacking energy: -29.783 Base-Backbone interact. energy: -0.260 local terms energy: -28.100450 where: bonds (distance) C4'-P energy: -9.596 bonds (distance) P-C4' energy: -9.730 flat angles C4'-P-C4' energy: -9.619 flat angles P-C4'-P energy: -0.032 tors. eta vs tors. theta energy: 0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -66.844185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.844185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.844185 (E_RNA) where: Base-Base interactions energy: -29.395 where: short stacking energy: -20.308 Base-Backbone interact. energy: -0.134 local terms energy: -37.315374 where: bonds (distance) C4'-P energy: -8.012 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -1.205 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -222.422055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.422055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.422055 (E_RNA) where: Base-Base interactions energy: -149.702 where: short stacking energy: -70.134 Base-Backbone interact. energy: -0.007 local terms energy: -72.713061 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -15.310 flat angles C4'-P-C4' energy: -15.083 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -20.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -218.266619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.266619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.266619 (E_RNA) where: Base-Base interactions energy: -152.891 where: short stacking energy: -69.660 Base-Backbone interact. energy: -0.008 local terms energy: -65.368160 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -10.625 flat angles C4'-P-C4' energy: -15.553 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -17.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -216.252944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.252944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.252944 (E_RNA) where: Base-Base interactions energy: -149.928 where: short stacking energy: -65.915 Base-Backbone interact. energy: -0.164 local terms energy: -66.161455 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -11.774 tors. eta vs tors. theta energy: -15.787 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: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -211.536177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.536177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.536177 (E_RNA) where: Base-Base interactions energy: -149.962 where: short stacking energy: -63.746 Base-Backbone interact. energy: -0.072 local terms energy: -61.502334 where: bonds (distance) C4'-P energy: -8.599 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -8.915 tors. eta vs tors. theta energy: -17.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -211.173287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.173287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.173287 (E_RNA) where: Base-Base interactions energy: -145.645 where: short stacking energy: -66.761 Base-Backbone interact. energy: -0.001 local terms energy: -65.527293 where: bonds (distance) C4'-P energy: -10.839 bonds (distance) P-C4' energy: -13.914 flat angles C4'-P-C4' energy: -13.410 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -17.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -206.990839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.990839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.990839 (E_RNA) where: Base-Base interactions energy: -139.794 where: short stacking energy: -59.189 Base-Backbone interact. energy: -0.469 local terms energy: -66.727856 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -17.598 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: 453 Temperature: 1.200000 Total energy: -201.373917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.373917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.373917 (E_RNA) where: Base-Base interactions energy: -138.458 where: short stacking energy: -54.180 Base-Backbone interact. energy: -0.050 local terms energy: -62.866100 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -10.348 flat angles C4'-P-C4' energy: -10.805 flat angles P-C4'-P energy: -12.330 tors. eta vs tors. theta energy: -15.262 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: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -163.649104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.649104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.649104 (E_RNA) where: Base-Base interactions energy: -109.658 where: short stacking energy: -46.102 Base-Backbone interact. energy: -0.023 local terms energy: -53.968348 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -11.126 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -12.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -90.377145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.377145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.377145 (E_RNA) where: Base-Base interactions energy: -44.971 where: short stacking energy: -35.299 Base-Backbone interact. energy: -0.001 local terms energy: -45.405130 where: bonds (distance) C4'-P energy: -3.441 bonds (distance) P-C4' energy: -14.451 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -5.251 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: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -75.520954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.520954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.520954 (E_RNA) where: Base-Base interactions energy: -44.271 where: short stacking energy: -26.029 Base-Backbone interact. energy: 4.159 local terms energy: -35.408477 where: bonds (distance) C4'-P energy: -8.397 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -9.555 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -218.969687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.969687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.969687 (E_RNA) where: Base-Base interactions energy: -149.371 where: short stacking energy: -66.388 Base-Backbone interact. energy: -1.056 local terms energy: -68.542345 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -9.946 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -12.376 tors. eta vs tors. theta energy: -20.168 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: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -214.510754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.510754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.510754 (E_RNA) where: Base-Base interactions energy: -148.795 where: short stacking energy: -64.824 Base-Backbone interact. energy: -0.820 local terms energy: -64.896268 where: bonds (distance) C4'-P energy: -8.603 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -20.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -212.808295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.808295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.808295 (E_RNA) where: Base-Base interactions energy: -143.740 where: short stacking energy: -64.991 Base-Backbone interact. energy: -0.010 local terms energy: -69.058479 where: bonds (distance) C4'-P energy: -11.646 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.479 flat angles P-C4'-P energy: -13.425 tors. eta vs tors. theta energy: -17.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -198.146451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.146451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.146451 (E_RNA) where: Base-Base interactions energy: -131.292 where: short stacking energy: -51.052 Base-Backbone interact. energy: -0.182 local terms energy: -66.672172 where: bonds (distance) C4'-P energy: -14.093 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -12.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -210.599953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.599953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.599953 (E_RNA) where: Base-Base interactions energy: -146.601 where: short stacking energy: -62.309 Base-Backbone interact. energy: -0.754 local terms energy: -63.245462 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -16.148 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: 3 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -204.921419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.921419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.921419 (E_RNA) where: Base-Base interactions energy: -146.332 where: short stacking energy: -61.348 Base-Backbone interact. energy: -0.173 local terms energy: -58.416329 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -10.125 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -8.066 tors. eta vs tors. theta energy: -16.435 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: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -191.710893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.710893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.710893 (E_RNA) where: Base-Base interactions energy: -141.286 where: short stacking energy: -57.279 Base-Backbone interact. energy: -0.153 local terms energy: -50.271612 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -6.795 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -8.572 tors. eta vs tors. theta energy: -14.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -193.224913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.224913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.224913 (E_RNA) where: Base-Base interactions energy: -127.907 where: short stacking energy: -58.504 Base-Backbone interact. energy: -0.014 local terms energy: -65.304672 where: bonds (distance) C4'-P energy: -16.593 bonds (distance) P-C4' energy: -9.689 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -17.173 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: 454 Temperature: 1.300000 Total energy: -93.404806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.404806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.404806 (E_RNA) where: Base-Base interactions energy: -57.897 where: short stacking energy: -21.341 Base-Backbone interact. energy: -1.338 local terms energy: -34.169760 where: bonds (distance) C4'-P energy: -7.999 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: 5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -78.545390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.545390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.545390 (E_RNA) where: Base-Base interactions energy: -31.604 where: short stacking energy: -31.604 Base-Backbone interact. energy: 0.064 local terms energy: -47.005446 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -221.205539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.205539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.205539 (E_RNA) where: Base-Base interactions energy: -147.541 where: short stacking energy: -63.089 Base-Backbone interact. energy: -0.008 local terms energy: -73.655941 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -8.568 tors. eta vs tors. theta energy: -18.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -218.863041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.863041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.863041 (E_RNA) where: Base-Base interactions energy: -153.367 where: short stacking energy: -67.799 Base-Backbone interact. energy: -0.001 local terms energy: -65.495616 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -10.113 flat angles C4'-P-C4' energy: -14.889 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -18.672 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: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -214.804760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.804760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.804760 (E_RNA) where: Base-Base interactions energy: -144.875 where: short stacking energy: -59.786 Base-Backbone interact. energy: -0.507 local terms energy: -69.423056 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -17.753 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: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -210.675637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.675637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.675637 (E_RNA) where: Base-Base interactions energy: -137.630 where: short stacking energy: -57.584 Base-Backbone interact. energy: -1.114 local terms energy: -71.931851 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -18.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -205.817572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.817572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.817572 (E_RNA) where: Base-Base interactions energy: -139.951 where: short stacking energy: -59.760 Base-Backbone interact. energy: -0.014 local terms energy: -65.852178 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -11.812 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -17.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -203.202082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.202082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.202082 (E_RNA) where: Base-Base interactions energy: -144.429 where: short stacking energy: -60.885 Base-Backbone interact. energy: -0.270 local terms energy: -58.502764 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -16.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -197.196105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.196105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.196105 (E_RNA) where: Base-Base interactions energy: -139.603 where: short stacking energy: -60.223 Base-Backbone interact. energy: -0.761 local terms energy: -56.831616 where: bonds (distance) C4'-P energy: -7.256 bonds (distance) P-C4' energy: -7.934 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -17.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -190.049778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.049778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.049778 (E_RNA) where: Base-Base interactions energy: -133.789 where: short stacking energy: -61.353 Base-Backbone interact. energy: 0.116 local terms energy: -56.376714 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -3.333 flat angles C4'-P-C4' energy: -13.638 flat angles P-C4'-P energy: -6.790 tors. eta vs tors. theta energy: -19.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -96.177682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.177682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.177682 (E_RNA) where: Base-Base interactions energy: -46.517 where: short stacking energy: -38.101 Base-Backbone interact. energy: -0.006 local terms energy: -49.654460 where: bonds (distance) C4'-P energy: -8.202 bonds (distance) P-C4' energy: -12.555 flat angles C4'-P-C4' energy: -13.520 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -6.906 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: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -73.849954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.849954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.849954 (E_RNA) where: Base-Base interactions energy: -27.242 where: short stacking energy: -24.838 Base-Backbone interact. energy: -0.020 local terms energy: -46.588394 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -11.431 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -222.090492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.090492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.090492 (E_RNA) where: Base-Base interactions energy: -149.843 where: short stacking energy: -66.027 Base-Backbone interact. energy: -1.352 local terms energy: -70.895747 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -13.852 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -19.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -217.431334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.431334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.431334 (E_RNA) where: Base-Base interactions energy: -147.450 where: short stacking energy: -64.178 Base-Backbone interact. energy: -0.410 local terms energy: -69.571138 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -18.935 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: 3, replica: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -214.518189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.518189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.518189 (E_RNA) where: Base-Base interactions energy: -149.963 where: short stacking energy: -59.724 Base-Backbone interact. energy: -0.080 local terms energy: -64.475083 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -15.710 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -13.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -212.107311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.107311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.107311 (E_RNA) where: Base-Base interactions energy: -142.586 where: short stacking energy: -60.320 Base-Backbone interact. energy: -2.186 local terms energy: -67.335063 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -10.104 flat angles C4'-P-C4' energy: -16.647 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -19.000 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: 5, replica: 10 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -211.077235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.077235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.077235 (E_RNA) where: Base-Base interactions energy: -141.555 where: short stacking energy: -62.139 Base-Backbone interact. energy: -0.001 local terms energy: -69.521686 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -16.712 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: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -200.934763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.934763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.934763 (E_RNA) where: Base-Base interactions energy: -134.709 where: short stacking energy: -60.597 Base-Backbone interact. energy: -0.005 local terms energy: -66.220652 where: bonds (distance) C4'-P energy: -13.940 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -14.162 flat angles P-C4'-P energy: -8.849 tors. eta vs tors. theta energy: -17.724 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: 7, replica: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -194.977470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.977470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.977470 (E_RNA) where: Base-Base interactions energy: -133.068 where: short stacking energy: -55.397 Base-Backbone interact. energy: -0.002 local terms energy: -61.907379 where: bonds (distance) C4'-P energy: -9.403 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -15.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -197.812874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.812874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.812874 (E_RNA) where: Base-Base interactions energy: -133.576 where: short stacking energy: -53.740 Base-Backbone interact. energy: -0.312 local terms energy: -63.924834 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -11.685 flat angles C4'-P-C4' energy: -12.734 flat angles P-C4'-P energy: -12.316 tors. eta vs tors. theta energy: -14.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -77.041045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.041045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.041045 (E_RNA) where: Base-Base interactions energy: -25.920 where: short stacking energy: -25.920 Base-Backbone interact. energy: -0.211 local terms energy: -50.909861 where: bonds (distance) C4'-P energy: -10.664 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -1.814 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: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -77.930294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.930294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.930294 (E_RNA) where: Base-Base interactions energy: -32.745 where: short stacking energy: -28.765 Base-Backbone interact. energy: -0.139 local terms energy: -45.046395 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -12.729 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -223.340544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.340544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.340544 (E_RNA) where: Base-Base interactions energy: -148.724 where: short stacking energy: -65.182 Base-Backbone interact. energy: -1.024 local terms energy: -73.592316 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -21.130 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: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -217.585206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.585206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.585206 (E_RNA) where: Base-Base interactions energy: -150.569 where: short stacking energy: -64.431 Base-Backbone interact. energy: -1.069 local terms energy: -65.947330 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -18.587 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: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -215.045793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.045793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.045793 (E_RNA) where: Base-Base interactions energy: -150.567 where: short stacking energy: -67.383 Base-Backbone interact. energy: -0.472 local terms energy: -64.006701 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -10.406 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -16.667 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: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -214.762576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.762576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.762576 (E_RNA) where: Base-Base interactions energy: -146.186 where: short stacking energy: -63.164 Base-Backbone interact. energy: -0.038 local terms energy: -68.538278 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -17.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -204.836940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.836940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.836940 (E_RNA) where: Base-Base interactions energy: -137.928 where: short stacking energy: -63.538 Base-Backbone interact. energy: -0.001 local terms energy: -66.907281 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -10.700 flat angles C4'-P-C4' energy: -11.758 flat angles P-C4'-P energy: -10.746 tors. eta vs tors. theta energy: -20.181 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: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -204.122319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.122319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.122319 (E_RNA) where: Base-Base interactions energy: -137.183 where: short stacking energy: -55.613 Base-Backbone interact. energy: -0.585 local terms energy: -66.355105 where: bonds (distance) C4'-P energy: -15.555 bonds (distance) P-C4' energy: -13.316 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -14.432 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: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -194.823318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.823318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.823318 (E_RNA) where: Base-Base interactions energy: -133.041 where: short stacking energy: -51.276 Base-Backbone interact. energy: -0.272 local terms energy: -61.509870 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: -12.860 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: 457 Temperature: 1.250000 Total energy: -192.575109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.575109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.575109 (E_RNA) where: Base-Base interactions energy: -132.612 where: short stacking energy: -52.107 Base-Backbone interact. energy: -0.007 local terms energy: -59.956085 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -9.759 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: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -80.002267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.002267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.002267 (E_RNA) where: Base-Base interactions energy: -28.241 where: short stacking energy: -28.241 Base-Backbone interact. energy: -0.005 local terms energy: -51.756140 where: bonds (distance) C4'-P energy: -9.734 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -7.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -71.204943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.204943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.204943 (E_RNA) where: Base-Base interactions energy: -34.204 where: short stacking energy: -21.767 Base-Backbone interact. energy: -0.627 local terms energy: -36.373967 where: bonds (distance) C4'-P energy: -14.763 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: 1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -219.220153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.220153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.220153 (E_RNA) where: Base-Base interactions energy: -146.013 where: short stacking energy: -66.269 Base-Backbone interact. energy: -0.033 local terms energy: -73.174213 where: bonds (distance) C4'-P energy: -13.803 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -20.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -215.529250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.529250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.529250 (E_RNA) where: Base-Base interactions energy: -147.346 where: short stacking energy: -65.996 Base-Backbone interact. energy: -0.181 local terms energy: -68.001556 where: bonds (distance) C4'-P energy: -10.751 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -18.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -211.989692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.989692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.989692 (E_RNA) where: Base-Base interactions energy: -142.450 where: short stacking energy: -62.841 Base-Backbone interact. energy: -0.235 local terms energy: -69.305583 where: bonds (distance) C4'-P energy: -10.494 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -15.255 flat angles P-C4'-P energy: -11.964 tors. eta vs tors. theta energy: -18.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -216.704351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.704351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.704351 (E_RNA) where: Base-Base interactions energy: -146.631 where: short stacking energy: -64.068 Base-Backbone interact. energy: -1.596 local terms energy: -68.476716 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -13.729 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -13.273 tors. eta vs tors. theta energy: -19.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -207.308106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.308106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.308106 (E_RNA) where: Base-Base interactions energy: -144.111 where: short stacking energy: -62.323 Base-Backbone interact. energy: -0.000 local terms energy: -63.197135 where: bonds (distance) C4'-P energy: -11.498 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -12.881 flat angles P-C4'-P energy: -9.314 tors. eta vs tors. theta energy: -16.463 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: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -195.411083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.411083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.411083 (E_RNA) where: Base-Base interactions energy: -136.498 where: short stacking energy: -56.958 Base-Backbone interact. energy: -0.176 local terms energy: -58.736303 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -16.043 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -200.042689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.042689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.042689 (E_RNA) where: Base-Base interactions energy: -132.031 where: short stacking energy: -54.165 Base-Backbone interact. energy: -0.163 local terms energy: -67.847897 where: bonds (distance) C4'-P energy: -8.050 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -15.403 flat angles P-C4'-P energy: -11.685 tors. eta vs tors. theta energy: -16.968 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: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -184.682387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.682387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.682387 (E_RNA) where: Base-Base interactions energy: -136.623 where: short stacking energy: -54.604 Base-Backbone interact. energy: -0.132 local terms energy: -47.927133 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -9.643 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -11.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -76.432010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.432010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.432010 (E_RNA) where: Base-Base interactions energy: -34.221 where: short stacking energy: -34.221 Base-Backbone interact. energy: -0.135 local terms energy: -42.076068 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -1.535 tors. eta vs tors. theta energy: -4.856 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: 1 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -108.038259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.038259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.038259 (E_RNA) where: Base-Base interactions energy: -58.085 where: short stacking energy: -31.326 Base-Backbone interact. energy: -0.210 local terms energy: -49.742843 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -10.086 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -5.609 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: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -222.452217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.452217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.452217 (E_RNA) where: Base-Base interactions energy: -152.951 where: short stacking energy: -65.875 Base-Backbone interact. energy: 0.917 local terms energy: -70.418607 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -10.600 tors. eta vs tors. theta energy: -19.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -219.800607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.800607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.800607 (E_RNA) where: Base-Base interactions energy: -150.807 where: short stacking energy: -69.372 Base-Backbone interact. energy: -0.016 local terms energy: -68.976866 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -19.176 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: 459 Temperature: 1.000000 Total energy: -214.571145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.571145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.571145 (E_RNA) where: Base-Base interactions energy: -145.123 where: short stacking energy: -60.150 Base-Backbone interact. energy: -0.322 local terms energy: -69.125413 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -9.760 flat angles C4'-P-C4' energy: -15.500 flat angles P-C4'-P energy: -10.940 tors. eta vs tors. theta energy: -18.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -205.418900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.418900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.418900 (E_RNA) where: Base-Base interactions energy: -139.428 where: short stacking energy: -63.966 Base-Backbone interact. energy: -0.631 local terms energy: -65.359778 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -15.879 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: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -204.096845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.096845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.096845 (E_RNA) where: Base-Base interactions energy: -144.587 where: short stacking energy: -56.715 Base-Backbone interact. energy: -0.923 local terms energy: -58.586710 where: bonds (distance) C4'-P energy: -6.898 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -16.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -198.405569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.405569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.405569 (E_RNA) where: Base-Base interactions energy: -136.363 where: short stacking energy: -57.410 Base-Backbone interact. energy: -0.235 local terms energy: -61.807271 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -14.740 flat angles P-C4'-P energy: -11.655 tors. eta vs tors. theta energy: -15.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -195.959727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.959727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.959727 (E_RNA) where: Base-Base interactions energy: -136.510 where: short stacking energy: -51.483 Base-Backbone interact. energy: -0.485 local terms energy: -58.964552 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -10.770 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -18.837 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: 8, replica: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -191.392262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.392262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.392262 (E_RNA) where: Base-Base interactions energy: -140.394 where: short stacking energy: -59.223 Base-Backbone interact. energy: -0.054 local terms energy: -50.943941 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -7.449 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -15.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -76.999898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.999898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.999898 (E_RNA) where: Base-Base interactions energy: -24.465 where: short stacking energy: -24.664 Base-Backbone interact. energy: -0.063 local terms energy: -52.471368 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -10.301 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -8.067 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: 459 Temperature: 1.350000 Total energy: -145.969379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.969379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.969379 (E_RNA) where: Base-Base interactions energy: -93.843 where: short stacking energy: -45.482 Base-Backbone interact. energy: 0.333 local terms energy: -52.459286 where: bonds (distance) C4'-P energy: -7.863 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -9.523 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: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -222.113226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.113226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.113226 (E_RNA) where: Base-Base interactions energy: -152.466 where: short stacking energy: -64.493 Base-Backbone interact. energy: -0.389 local terms energy: -69.257854 where: bonds (distance) C4'-P energy: -14.110 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -10.772 tors. eta vs tors. theta energy: -18.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -219.054347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.054347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.054347 (E_RNA) where: Base-Base interactions energy: -153.770 where: short stacking energy: -71.046 Base-Backbone interact. energy: -0.336 local terms energy: -64.947981 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -9.910 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -21.273 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: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -210.154737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.154737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.154737 (E_RNA) where: Base-Base interactions energy: -143.289 where: short stacking energy: -61.086 Base-Backbone interact. energy: -0.079 local terms energy: -66.786366 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -11.417 tors. eta vs tors. theta energy: -14.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -208.606203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.606203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.606203 (E_RNA) where: Base-Base interactions energy: -144.712 where: short stacking energy: -60.025 Base-Backbone interact. energy: -0.002 local terms energy: -63.892152 where: bonds (distance) C4'-P energy: -8.101 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -10.733 tors. eta vs tors. theta energy: -16.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -209.698196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.698196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.698196 (E_RNA) where: Base-Base interactions energy: -140.142 where: short stacking energy: -62.163 Base-Backbone interact. energy: -0.001 local terms energy: -69.555224 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -19.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -197.301279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.301279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.301279 (E_RNA) where: Base-Base interactions energy: -128.196 where: short stacking energy: -52.331 Base-Backbone interact. energy: -0.824 local terms energy: -68.281632 where: bonds (distance) C4'-P energy: -15.777 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -15.080 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -15.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -199.667770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.667770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.667770 (E_RNA) where: Base-Base interactions energy: -137.355 where: short stacking energy: -56.851 Base-Backbone interact. energy: -0.527 local terms energy: -61.786563 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -13.365 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -8.708 tors. eta vs tors. theta energy: -14.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -199.860808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.860808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.860808 (E_RNA) where: Base-Base interactions energy: -135.921 where: short stacking energy: -57.061 Base-Backbone interact. energy: -0.630 local terms energy: -63.309755 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -11.239 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -18.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -76.414930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.414930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.414930 (E_RNA) where: Base-Base interactions energy: -25.001 where: short stacking energy: -25.001 Base-Backbone interact. energy: -0.166 local terms energy: -51.247493 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -79.252992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.252992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.252992 (E_RNA) where: Base-Base interactions energy: -24.644 where: short stacking energy: -24.644 Base-Backbone interact. energy: -0.003 local terms energy: -54.605361 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -9.624 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -216.926722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.926722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.926722 (E_RNA) where: Base-Base interactions energy: -147.641 where: short stacking energy: -64.532 Base-Backbone interact. energy: -0.043 local terms energy: -69.242676 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -11.092 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: -17.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -212.933969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.933969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.933969 (E_RNA) where: Base-Base interactions energy: -142.096 where: short stacking energy: -64.581 Base-Backbone interact. energy: -0.621 local terms energy: -70.216602 where: bonds (distance) C4'-P energy: -15.083 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -17.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -208.465813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.465813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.465813 (E_RNA) where: Base-Base interactions energy: -147.661 where: short stacking energy: -62.273 Base-Backbone interact. energy: -0.137 local terms energy: -60.668240 where: bonds (distance) C4'-P energy: -7.050 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -9.529 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -19.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -217.393504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.393504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.393504 (E_RNA) where: Base-Base interactions energy: -154.231 where: short stacking energy: -72.013 Base-Backbone interact. energy: -0.064 local terms energy: -63.099426 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -10.981 flat angles C4'-P-C4' energy: -15.552 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -210.955124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.955124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.955124 (E_RNA) where: Base-Base interactions energy: -142.137 where: short stacking energy: -57.096 Base-Backbone interact. energy: -0.481 local terms energy: -68.337086 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -17.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -196.418417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.418417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.418417 (E_RNA) where: Base-Base interactions energy: -129.012 where: short stacking energy: -53.874 Base-Backbone interact. energy: -0.005 local terms energy: -67.401940 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -12.439 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -12.770 tors. eta vs tors. theta energy: -15.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -196.506247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.506247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.506247 (E_RNA) where: Base-Base interactions energy: -132.081 where: short stacking energy: -52.365 Base-Backbone interact. energy: -0.086 local terms energy: -64.339758 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -11.674 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -14.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -192.762198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.762198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.762198 (E_RNA) where: Base-Base interactions energy: -133.145 where: short stacking energy: -54.975 Base-Backbone interact. energy: -0.397 local terms energy: -59.219854 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -9.034 tors. eta vs tors. theta energy: -13.905 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: 461 Temperature: 1.300000 Total energy: -86.726107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.726107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.726107 (E_RNA) where: Base-Base interactions energy: -33.821 where: short stacking energy: -33.821 Base-Backbone interact. energy: -0.001 local terms energy: -52.904269 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -10.460 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -7.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -82.314663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.314663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.314663 (E_RNA) where: Base-Base interactions energy: -34.007 where: short stacking energy: -34.007 Base-Backbone interact. energy: -0.171 local terms energy: -48.136720 where: bonds (distance) C4'-P energy: -11.042 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -8.949 tors. eta vs tors. theta energy: -1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -224.901920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.901920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.901920 (E_RNA) where: Base-Base interactions energy: -147.580 where: short stacking energy: -64.192 Base-Backbone interact. energy: -0.013 local terms energy: -77.309065 where: bonds (distance) C4'-P energy: -14.558 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -13.409 tors. eta vs tors. theta energy: -19.358 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: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -212.304172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.304172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.304172 (E_RNA) where: Base-Base interactions energy: -141.710 where: short stacking energy: -54.821 Base-Backbone interact. energy: -0.121 local terms energy: -70.473938 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -11.789 tors. eta vs tors. theta energy: -16.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -213.927778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.927778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.927778 (E_RNA) where: Base-Base interactions energy: -144.878 where: short stacking energy: -60.325 Base-Backbone interact. energy: -0.816 local terms energy: -68.234606 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -16.398 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -15.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -213.657273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.657273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.657273 (E_RNA) where: Base-Base interactions energy: -145.244 where: short stacking energy: -61.364 Base-Backbone interact. energy: -0.019 local terms energy: -68.394642 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -12.450 tors. eta vs tors. theta energy: -15.748 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: 462 Temperature: 1.100000 Total energy: -211.478026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.478026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.478026 (E_RNA) where: Base-Base interactions energy: -147.347 where: short stacking energy: -64.992 Base-Backbone interact. energy: -0.480 local terms energy: -63.650581 where: bonds (distance) C4'-P energy: -10.449 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -15.382 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -15.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -209.223732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.223732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.223732 (E_RNA) where: Base-Base interactions energy: -144.662 where: short stacking energy: -58.825 Base-Backbone interact. energy: -0.688 local terms energy: -63.873165 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -12.452 tors. eta vs tors. theta energy: -14.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -201.465017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.465017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.465017 (E_RNA) where: Base-Base interactions energy: -140.329 where: short stacking energy: -56.269 Base-Backbone interact. energy: -0.002 local terms energy: -61.133531 where: bonds (distance) C4'-P energy: -10.290 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -15.225 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -16.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -189.203943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.203943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.203943 (E_RNA) where: Base-Base interactions energy: -129.316 where: short stacking energy: -49.968 Base-Backbone interact. energy: -0.716 local terms energy: -59.172024 where: bonds (distance) C4'-P energy: -7.183 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -15.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -79.378549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.378549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.378549 (E_RNA) where: Base-Base interactions energy: -32.474 where: short stacking energy: -32.474 Base-Backbone interact. energy: -0.270 local terms energy: -46.634362 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -10.041 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -73.840334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.840334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.840334 (E_RNA) where: Base-Base interactions energy: -28.189 where: short stacking energy: -20.495 Base-Backbone interact. energy: -0.170 local terms energy: -45.481825 where: bonds (distance) C4'-P energy: -10.893 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -7.481 tors. eta vs tors. theta energy: 0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -226.208000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.208000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.208000 (E_RNA) where: Base-Base interactions energy: -147.997 where: short stacking energy: -64.924 Base-Backbone interact. energy: -0.004 local terms energy: -78.207315 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -12.708 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: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -218.363167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.363167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.363167 (E_RNA) where: Base-Base interactions energy: -155.629 where: short stacking energy: -68.909 Base-Backbone interact. energy: -0.041 local terms energy: -62.693743 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -17.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -218.770024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.770024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.770024 (E_RNA) where: Base-Base interactions energy: -148.958 where: short stacking energy: -69.958 Base-Backbone interact. energy: -0.600 local terms energy: -69.212572 where: bonds (distance) C4'-P energy: -10.532 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -14.234 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -19.421 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: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -213.530688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.530688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.530688 (E_RNA) where: Base-Base interactions energy: -150.991 where: short stacking energy: -63.189 Base-Backbone interact. energy: -0.109 local terms energy: -62.430478 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -18.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -199.638991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.638991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.638991 (E_RNA) where: Base-Base interactions energy: -144.083 where: short stacking energy: -59.386 Base-Backbone interact. energy: -0.076 local terms energy: -55.479329 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -14.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -197.354338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.354338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.354338 (E_RNA) where: Base-Base interactions energy: -131.502 where: short stacking energy: -60.273 Base-Backbone interact. energy: -0.070 local terms energy: -65.781801 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -15.915 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -13.099 tors. eta vs tors. theta energy: -17.588 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: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -194.403207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.403207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.403207 (E_RNA) where: Base-Base interactions energy: -137.367 where: short stacking energy: -63.565 Base-Backbone interact. energy: -0.021 local terms energy: -57.014305 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -18.966 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: 463 Temperature: 1.250000 Total energy: -186.920115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.920115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.920115 (E_RNA) where: Base-Base interactions energy: -129.048 where: short stacking energy: -51.324 Base-Backbone interact. energy: -0.279 local terms energy: -57.592534 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -11.103 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -11.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -83.266954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.266954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.266954 (E_RNA) where: Base-Base interactions energy: -23.184 where: short stacking energy: -22.832 Base-Backbone interact. energy: -0.231 local terms energy: -59.851321 where: bonds (distance) C4'-P energy: -15.248 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -15.644 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -3.434 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: 463 Temperature: 1.350000 Total energy: -78.856145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.856145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.856145 (E_RNA) where: Base-Base interactions energy: -30.678 where: short stacking energy: -29.165 Base-Backbone interact. energy: -0.012 local terms energy: -48.166111 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -9.548 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -5.160 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: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -212.202046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.202046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.202046 (E_RNA) where: Base-Base interactions energy: -144.213 where: short stacking energy: -59.808 Base-Backbone interact. energy: -0.735 local terms energy: -67.253507 where: bonds (distance) C4'-P energy: -13.709 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -9.074 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: 2, replica: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -206.834661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.834661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.834661 (E_RNA) where: Base-Base interactions energy: -140.424 where: short stacking energy: -51.812 Base-Backbone interact. energy: -0.083 local terms energy: -66.328241 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -12.102 tors. eta vs tors. theta energy: -15.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -214.940597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.940597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.940597 (E_RNA) where: Base-Base interactions energy: -141.716 where: short stacking energy: -64.133 Base-Backbone interact. energy: -1.186 local terms energy: -72.038129 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -18.463 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: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -215.097874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.097874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.097874 (E_RNA) where: Base-Base interactions energy: -144.210 where: short stacking energy: -66.572 Base-Backbone interact. energy: -0.390 local terms energy: -70.497079 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -20.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -201.717798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.717798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.717798 (E_RNA) where: Base-Base interactions energy: -137.220 where: short stacking energy: -57.302 Base-Backbone interact. energy: -0.736 local terms energy: -63.761642 where: bonds (distance) C4'-P energy: -11.405 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -16.638 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: 6, replica: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -210.665758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.665758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.665758 (E_RNA) where: Base-Base interactions energy: -147.560 where: short stacking energy: -62.809 Base-Backbone interact. energy: -0.008 local terms energy: -63.097527 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -9.968 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -17.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -198.107224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.107224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.107224 (E_RNA) where: Base-Base interactions energy: -132.105 where: short stacking energy: -56.795 Base-Backbone interact. energy: -0.186 local terms energy: -65.816517 where: bonds (distance) C4'-P energy: -16.213 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -9.406 tors. eta vs tors. theta energy: -12.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -194.516150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.516150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.516150 (E_RNA) where: Base-Base interactions energy: -132.454 where: short stacking energy: -57.024 Base-Backbone interact. energy: 0.450 local terms energy: -62.511348 where: bonds (distance) C4'-P energy: -15.243 bonds (distance) P-C4' energy: -11.946 flat angles C4'-P-C4' energy: -14.220 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -13.688 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: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -79.508869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.508869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.508869 (E_RNA) where: Base-Base interactions energy: -29.708 where: short stacking energy: -29.708 Base-Backbone interact. energy: 0.366 local terms energy: -50.166082 where: bonds (distance) C4'-P energy: -9.908 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -11.776 flat angles P-C4'-P energy: -12.043 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -81.948560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.948560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.948560 (E_RNA) where: Base-Base interactions energy: -28.529 where: short stacking energy: -28.529 Base-Backbone interact. energy: 0.104 local terms energy: -53.522958 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -12.117 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -224.586614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.586614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.586614 (E_RNA) where: Base-Base interactions energy: -149.192 where: short stacking energy: -66.941 Base-Backbone interact. energy: -0.384 local terms energy: -75.009863 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -21.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -219.036292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.036292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.036292 (E_RNA) where: Base-Base interactions energy: -149.787 where: short stacking energy: -65.824 Base-Backbone interact. energy: -2.081 local terms energy: -67.168326 where: bonds (distance) C4'-P energy: -9.844 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -15.892 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -20.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -215.467113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.467113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.467113 (E_RNA) where: Base-Base interactions energy: -144.658 where: short stacking energy: -62.481 Base-Backbone interact. energy: -0.010 local terms energy: -70.798974 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -11.891 tors. eta vs tors. theta energy: -18.937 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: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -210.335971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.335971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.335971 (E_RNA) where: Base-Base interactions energy: -146.515 where: short stacking energy: -61.040 Base-Backbone interact. energy: 1.594 local terms energy: -65.414659 where: bonds (distance) C4'-P energy: -9.241 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -17.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -207.856106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.856106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.856106 (E_RNA) where: Base-Base interactions energy: -142.445 where: short stacking energy: -59.259 Base-Backbone interact. energy: -0.078 local terms energy: -65.333166 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -7.810 flat angles C4'-P-C4' energy: -15.856 flat angles P-C4'-P energy: -11.338 tors. eta vs tors. theta energy: -16.952 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: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -202.133537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.133537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.133537 (E_RNA) where: Base-Base interactions energy: -143.023 where: short stacking energy: -58.480 Base-Backbone interact. energy: -0.002 local terms energy: -59.109076 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -19.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -205.190253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.190253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.190253 (E_RNA) where: Base-Base interactions energy: -138.477 where: short stacking energy: -59.495 Base-Backbone interact. energy: -0.001 local terms energy: -66.711920 where: bonds (distance) C4'-P energy: -15.000 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -12.597 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -16.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -207.121515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.121515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.121515 (E_RNA) where: Base-Base interactions energy: -144.859 where: short stacking energy: -61.953 Base-Backbone interact. energy: -0.009 local terms energy: -62.252993 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -9.709 flat angles C4'-P-C4' energy: -16.926 flat angles P-C4'-P energy: -8.112 tors. eta vs tors. theta energy: -15.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -83.115242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.115242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.115242 (E_RNA) where: Base-Base interactions energy: -40.354 where: short stacking energy: -40.354 Base-Backbone interact. energy: -0.121 local terms energy: -42.639864 where: bonds (distance) C4'-P energy: -6.474 bonds (distance) P-C4' energy: -13.682 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -3.365 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: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -75.759857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.759857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.759857 (E_RNA) where: Base-Base interactions energy: -32.323 where: short stacking energy: -32.323 Base-Backbone interact. energy: -0.055 local terms energy: -43.381864 where: bonds (distance) C4'-P energy: -8.710 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -225.062029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.062029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.062029 (E_RNA) where: Base-Base interactions energy: -156.401 where: short stacking energy: -71.265 Base-Backbone interact. energy: -0.082 local terms energy: -68.578884 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -13.672 flat angles P-C4'-P energy: -11.137 tors. eta vs tors. theta energy: -19.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -225.232452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.232452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.232452 (E_RNA) where: Base-Base interactions energy: -150.969 where: short stacking energy: -65.763 Base-Backbone interact. energy: -0.002 local terms energy: -74.260907 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -10.253 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: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -214.031693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.031693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.031693 (E_RNA) where: Base-Base interactions energy: -150.131 where: short stacking energy: -66.675 Base-Backbone interact. energy: -0.027 local terms energy: -63.873524 where: bonds (distance) C4'-P energy: -7.535 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -19.381 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: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -210.226835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.226835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.226835 (E_RNA) where: Base-Base interactions energy: -144.455 where: short stacking energy: -62.798 Base-Backbone interact. energy: -0.581 local terms energy: -65.190941 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -8.305 tors. eta vs tors. theta energy: -16.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -207.913290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.913290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.913290 (E_RNA) where: Base-Base interactions energy: -145.627 where: short stacking energy: -63.171 Base-Backbone interact. energy: -0.350 local terms energy: -61.937000 where: bonds (distance) C4'-P energy: -10.669 bonds (distance) P-C4' energy: -9.055 flat angles C4'-P-C4' energy: -15.573 flat angles P-C4'-P energy: -8.441 tors. eta vs tors. theta energy: -18.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -205.310997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.310997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.310997 (E_RNA) where: Base-Base interactions energy: -139.722 where: short stacking energy: -56.135 Base-Backbone interact. energy: -0.048 local terms energy: -65.541099 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -9.092 tors. eta vs tors. theta energy: -17.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -198.142115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.142115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.142115 (E_RNA) where: Base-Base interactions energy: -136.602 where: short stacking energy: -56.508 Base-Backbone interact. energy: -0.014 local terms energy: -61.526536 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -3.962 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: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -194.306964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.306964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.306964 (E_RNA) where: Base-Base interactions energy: -131.874 where: short stacking energy: -52.955 Base-Backbone interact. energy: -0.736 local terms energy: -61.696846 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -9.824 tors. eta vs tors. theta energy: -13.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -87.323797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.323797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.323797 (E_RNA) where: Base-Base interactions energy: -37.770 where: short stacking energy: -34.033 Base-Backbone interact. energy: 2.821 local terms energy: -52.375332 where: bonds (distance) C4'-P energy: -7.980 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -5.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -75.308696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.308696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.308696 (E_RNA) where: Base-Base interactions energy: -40.479 where: short stacking energy: -24.611 Base-Backbone interact. energy: -0.723 local terms energy: -34.106224 where: bonds (distance) C4'-P energy: -6.954 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -9.761 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: 1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -222.485796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.485796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.485796 (E_RNA) where: Base-Base interactions energy: -156.332 where: short stacking energy: -71.653 Base-Backbone interact. energy: -0.028 local terms energy: -66.125571 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -15.522 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -211.073954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.073954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.073954 (E_RNA) where: Base-Base interactions energy: -141.383 where: short stacking energy: -67.319 Base-Backbone interact. energy: -0.365 local terms energy: -69.326354 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -16.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -213.347635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.347635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.347635 (E_RNA) where: Base-Base interactions energy: -145.002 where: short stacking energy: -69.362 Base-Backbone interact. energy: -0.004 local terms energy: -68.341312 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -17.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -212.803479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.803479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.803479 (E_RNA) where: Base-Base interactions energy: -143.967 where: short stacking energy: -62.165 Base-Backbone interact. energy: -0.024 local terms energy: -68.812814 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -19.957 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: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -209.302710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.302710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.302710 (E_RNA) where: Base-Base interactions energy: -139.572 where: short stacking energy: -56.178 Base-Backbone interact. energy: -0.788 local terms energy: -68.943583 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -15.831 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -16.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -199.755806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.755806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.755806 (E_RNA) where: Base-Base interactions energy: -135.816 where: short stacking energy: -57.963 Base-Backbone interact. energy: -1.001 local terms energy: -62.938917 where: bonds (distance) C4'-P energy: -8.641 bonds (distance) P-C4' energy: -14.000 flat angles C4'-P-C4' energy: -15.311 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -17.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -202.149933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.149933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.149933 (E_RNA) where: Base-Base interactions energy: -141.266 where: short stacking energy: -64.646 Base-Backbone interact. energy: 0.371 local terms energy: -61.255036 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -9.143 tors. eta vs tors. theta energy: -19.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -188.612556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.612556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.612556 (E_RNA) where: Base-Base interactions energy: -131.296 where: short stacking energy: -56.095 Base-Backbone interact. energy: -0.108 local terms energy: -57.208125 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -11.376 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: 4 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -75.043579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.043579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.043579 (E_RNA) where: Base-Base interactions energy: -28.398 where: short stacking energy: -28.398 Base-Backbone interact. energy: 1.434 local terms energy: -48.079882 where: bonds (distance) C4'-P energy: -12.044 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -9.563 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -84.810951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.810951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.810951 (E_RNA) where: Base-Base interactions energy: -35.665 where: short stacking energy: -32.566 Base-Backbone interact. energy: -0.097 local terms energy: -49.048481 where: bonds (distance) C4'-P energy: -10.220 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -9.424 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -8.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -226.558446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.558446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.558446 (E_RNA) where: Base-Base interactions energy: -152.621 where: short stacking energy: -66.363 Base-Backbone interact. energy: -0.813 local terms energy: -73.123814 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -20.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -215.319496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.319496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.319496 (E_RNA) where: Base-Base interactions energy: -146.266 where: short stacking energy: -64.050 Base-Backbone interact. energy: -0.026 local terms energy: -69.027983 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -17.090 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: 468 Temperature: 1.000000 Total energy: -208.823735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.823735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.823735 (E_RNA) where: Base-Base interactions energy: -141.564 where: short stacking energy: -61.845 Base-Backbone interact. energy: -0.101 local terms energy: -67.159657 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.993 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -19.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -214.909160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.909160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.909160 (E_RNA) where: Base-Base interactions energy: -144.882 where: short stacking energy: -65.913 Base-Backbone interact. energy: -0.006 local terms energy: -70.021079 where: bonds (distance) C4'-P energy: -13.328 bonds (distance) P-C4' energy: -13.608 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -18.393 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: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -205.470484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.470484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.470484 (E_RNA) where: Base-Base interactions energy: -141.611 where: short stacking energy: -49.487 Base-Backbone interact. energy: -0.001 local terms energy: -63.858882 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -16.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -206.362449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.362449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.362449 (E_RNA) where: Base-Base interactions energy: -144.341 where: short stacking energy: -66.108 Base-Backbone interact. energy: -0.010 local terms energy: -62.011375 where: bonds (distance) C4'-P energy: -8.100 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -8.498 tors. eta vs tors. theta energy: -19.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -200.092892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.092892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.092892 (E_RNA) where: Base-Base interactions energy: -141.045 where: short stacking energy: -58.674 Base-Backbone interact. energy: -0.117 local terms energy: -58.931200 where: bonds (distance) C4'-P energy: -11.489 bonds (distance) P-C4' energy: -11.307 flat angles C4'-P-C4' energy: -12.853 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -13.311 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: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -189.986576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.986576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.986576 (E_RNA) where: Base-Base interactions energy: -127.370 where: short stacking energy: -52.090 Base-Backbone interact. energy: -1.147 local terms energy: -61.469807 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -11.841 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -10.919 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: 9, replica: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -74.890995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.890995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.890995 (E_RNA) where: Base-Base interactions energy: -38.042 where: short stacking energy: -24.137 Base-Backbone interact. energy: -0.222 local terms energy: -36.626501 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: 1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -71.072355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.072355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.072355 (E_RNA) where: Base-Base interactions energy: -20.583 where: short stacking energy: -20.583 Base-Backbone interact. energy: -0.005 local terms energy: -50.485008 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -224.476268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.476268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.476268 (E_RNA) where: Base-Base interactions energy: -148.657 where: short stacking energy: -66.519 Base-Backbone interact. energy: -2.194 local terms energy: -73.625500 where: bonds (distance) C4'-P energy: -14.093 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -13.879 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -218.628257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.628257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.628257 (E_RNA) where: Base-Base interactions energy: -149.136 where: short stacking energy: -63.730 Base-Backbone interact. energy: -0.037 local terms energy: -69.454779 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -11.688 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -12.219 tors. eta vs tors. theta energy: -18.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -224.540667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.540667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.540667 (E_RNA) where: Base-Base interactions energy: -148.058 where: short stacking energy: -65.964 Base-Backbone interact. energy: -0.047 local terms energy: -76.435477 where: bonds (distance) C4'-P energy: -15.367 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -11.626 tors. eta vs tors. theta energy: -20.219 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: 9 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -210.764740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.764740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.764740 (E_RNA) where: Base-Base interactions energy: -141.507 where: short stacking energy: -62.736 Base-Backbone interact. energy: -0.034 local terms energy: -69.223908 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -12.720 flat angles C4'-P-C4' energy: -14.529 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -17.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -199.685149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.685149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.685149 (E_RNA) where: Base-Base interactions energy: -137.437 where: short stacking energy: -60.504 Base-Backbone interact. energy: -1.012 local terms energy: -61.235894 where: bonds (distance) C4'-P energy: -9.580 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -8.483 tors. eta vs tors. theta energy: -14.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -209.491655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.491655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.491655 (E_RNA) where: Base-Base interactions energy: -145.501 where: short stacking energy: -65.202 Base-Backbone interact. energy: -0.042 local terms energy: -63.948260 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -11.120 tors. eta vs tors. theta energy: -16.593 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: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -195.070461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.070461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.070461 (E_RNA) where: Base-Base interactions energy: -132.317 where: short stacking energy: -49.631 Base-Backbone interact. energy: -0.022 local terms energy: -62.730883 where: bonds (distance) C4'-P energy: -13.769 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -11.201 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -15.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -181.411421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.411421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.411421 (E_RNA) where: Base-Base interactions energy: -122.140 where: short stacking energy: -54.726 Base-Backbone interact. energy: -0.013 local terms energy: -59.257541 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -13.514 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: 469 Temperature: 1.300000 Total energy: -79.769622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.769622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.769622 (E_RNA) where: Base-Base interactions energy: -34.244 where: short stacking energy: -34.244 Base-Backbone interact. energy: -0.005 local terms energy: -45.520550 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -9.172 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -76.604749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.604749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.604749 (E_RNA) where: Base-Base interactions energy: -26.936 where: short stacking energy: -22.951 Base-Backbone interact. energy: -0.027 local terms energy: -49.641385 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -227.337971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.337971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.337971 (E_RNA) where: Base-Base interactions energy: -154.451 where: short stacking energy: -70.793 Base-Backbone interact. energy: -0.596 local terms energy: -72.291499 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -16.301 flat angles P-C4'-P energy: -8.849 tors. eta vs tors. theta energy: -20.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -222.134584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.134584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.134584 (E_RNA) where: Base-Base interactions energy: -152.206 where: short stacking energy: -67.997 Base-Backbone interact. energy: -0.001 local terms energy: -69.927118 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -18.736 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: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -219.240919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.240919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.240919 (E_RNA) where: Base-Base interactions energy: -146.605 where: short stacking energy: -60.864 Base-Backbone interact. energy: -0.244 local terms energy: -72.391159 where: bonds (distance) C4'-P energy: -16.080 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -12.815 flat angles P-C4'-P energy: -12.399 tors. eta vs tors. theta energy: -17.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -210.816041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.816041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.816041 (E_RNA) where: Base-Base interactions energy: -135.970 where: short stacking energy: -62.776 Base-Backbone interact. energy: -0.004 local terms energy: -74.842649 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -16.377 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -19.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -211.739958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.739958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.739958 (E_RNA) where: Base-Base interactions energy: -145.226 where: short stacking energy: -61.469 Base-Backbone interact. energy: -0.036 local terms energy: -66.477233 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -17.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -204.065715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.065715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.065715 (E_RNA) where: Base-Base interactions energy: -138.849 where: short stacking energy: -57.270 Base-Backbone interact. energy: 0.586 local terms energy: -65.802659 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -17.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -209.133044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.133044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.133044 (E_RNA) where: Base-Base interactions energy: -145.000 where: short stacking energy: -63.701 Base-Backbone interact. energy: -0.096 local terms energy: -64.036295 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -13.372 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -9.719 tors. eta vs tors. theta energy: -18.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -188.821908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.821908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.821908 (E_RNA) where: Base-Base interactions energy: -125.067 where: short stacking energy: -53.946 Base-Backbone interact. energy: -0.009 local terms energy: -63.746559 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -10.639 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -9.959 tors. eta vs tors. theta energy: -14.971 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: 4 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -129.212480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.212480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.212480 (E_RNA) where: Base-Base interactions energy: -74.222 where: short stacking energy: -35.729 Base-Backbone interact. energy: 0.256 local terms energy: -55.246714 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -10.513 tors. eta vs tors. theta energy: -7.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -65.634078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.634078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.634078 (E_RNA) where: Base-Base interactions energy: -28.020 where: short stacking energy: -17.176 Base-Backbone interact. energy: -0.358 local terms energy: -37.256338 where: bonds (distance) C4'-P energy: -6.177 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: 0.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -226.159676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.159676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.159676 (E_RNA) where: Base-Base interactions energy: -157.345 where: short stacking energy: -67.184 Base-Backbone interact. energy: -0.096 local terms energy: -68.719190 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -9.670 flat angles P-C4'-P energy: -11.472 tors. eta vs tors. theta energy: -19.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -221.355135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.355135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.355135 (E_RNA) where: Base-Base interactions energy: -149.971 where: short stacking energy: -66.866 Base-Backbone interact. energy: -2.086 local terms energy: -69.297818 where: bonds (distance) C4'-P energy: -9.900 bonds (distance) P-C4' energy: -15.733 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -11.441 tors. eta vs tors. theta energy: -16.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -213.223520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.223520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.223520 (E_RNA) where: Base-Base interactions energy: -149.047 where: short stacking energy: -67.047 Base-Backbone interact. energy: -0.083 local terms energy: -64.094088 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -12.898 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -16.318 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: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -215.566382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.566382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.566382 (E_RNA) where: Base-Base interactions energy: -147.750 where: short stacking energy: -59.787 Base-Backbone interact. energy: -0.102 local terms energy: -67.714526 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -16.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -209.599870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.599870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.599870 (E_RNA) where: Base-Base interactions energy: -139.285 where: short stacking energy: -61.999 Base-Backbone interact. energy: -0.000 local terms energy: -70.315061 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -14.647 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -17.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -196.348955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.348955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.348955 (E_RNA) where: Base-Base interactions energy: -139.270 where: short stacking energy: -58.839 Base-Backbone interact. energy: -0.103 local terms energy: -56.975385 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -14.102 flat angles C4'-P-C4' energy: -9.755 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -14.737 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: 471 Temperature: 1.200000 Total energy: -200.664574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.664574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.664574 (E_RNA) where: Base-Base interactions energy: -140.442 where: short stacking energy: -61.110 Base-Backbone interact. energy: -0.011 local terms energy: -60.211885 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -9.637 flat angles C4'-P-C4' energy: -13.475 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -16.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -185.740500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.740500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.740500 (E_RNA) where: Base-Base interactions energy: -124.356 where: short stacking energy: -48.266 Base-Backbone interact. energy: -0.702 local terms energy: -60.682652 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -11.643 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -13.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -118.063265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.063265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.063265 (E_RNA) where: Base-Base interactions energy: -72.719 where: short stacking energy: -36.993 Base-Backbone interact. energy: -0.049 local terms energy: -45.295503 where: bonds (distance) C4'-P energy: -5.346 bonds (distance) P-C4' energy: -10.536 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -7.976 tors. eta vs tors. theta energy: -8.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -102.406430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.406430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.406430 (E_RNA) where: Base-Base interactions energy: -50.241 where: short stacking energy: -30.079 Base-Backbone interact. energy: -0.274 local terms energy: -51.890982 where: bonds (distance) C4'-P energy: -14.553 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -8.576 tors. eta vs tors. theta energy: -1.349 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: 9 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -224.728864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.728864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.728864 (E_RNA) where: Base-Base interactions energy: -149.607 where: short stacking energy: -63.338 Base-Backbone interact. energy: -0.637 local terms energy: -74.485476 where: bonds (distance) C4'-P energy: -14.146 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -15.704 flat angles P-C4'-P energy: -10.326 tors. eta vs tors. theta energy: -20.320 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: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -218.140538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.140538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.140538 (E_RNA) where: Base-Base interactions energy: -146.290 where: short stacking energy: -65.291 Base-Backbone interact. energy: -0.004 local terms energy: -71.845858 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -10.553 flat angles C4'-P-C4' energy: -15.402 flat angles P-C4'-P energy: -11.344 tors. eta vs tors. theta energy: -21.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -210.358263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.358263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.358263 (E_RNA) where: Base-Base interactions energy: -137.584 where: short stacking energy: -60.119 Base-Backbone interact. energy: -0.650 local terms energy: -72.123662 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -12.236 tors. eta vs tors. theta energy: -17.840 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: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -216.903673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.903673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.903673 (E_RNA) where: Base-Base interactions energy: -148.871 where: short stacking energy: -66.778 Base-Backbone interact. energy: -0.017 local terms energy: -68.015605 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -212.375050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.375050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.375050 (E_RNA) where: Base-Base interactions energy: -150.236 where: short stacking energy: -59.208 Base-Backbone interact. energy: -1.106 local terms energy: -61.033542 where: bonds (distance) C4'-P energy: -10.669 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -8.412 tors. eta vs tors. theta energy: -19.457 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: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -196.541713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.541713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.541713 (E_RNA) where: Base-Base interactions energy: -134.349 where: short stacking energy: -55.661 Base-Backbone interact. energy: -0.206 local terms energy: -61.986567 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -16.039 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -206.737012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.737012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.737012 (E_RNA) where: Base-Base interactions energy: -147.131 where: short stacking energy: -67.000 Base-Backbone interact. energy: -0.007 local terms energy: -59.598220 where: bonds (distance) C4'-P energy: -5.330 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -18.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -178.020810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.020810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.020810 (E_RNA) where: Base-Base interactions energy: -123.081 where: short stacking energy: -55.665 Base-Backbone interact. energy: -0.003 local terms energy: -54.936853 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.970 flat angles C4'-P-C4' energy: -13.927 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -15.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -73.852330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.852330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.852330 (E_RNA) where: Base-Base interactions energy: -30.039 where: short stacking energy: -23.603 Base-Backbone interact. energy: 0.572 local terms energy: -44.385034 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -79.769231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.769231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.769231 (E_RNA) where: Base-Base interactions energy: -34.472 where: short stacking energy: -32.046 Base-Backbone interact. energy: -0.152 local terms energy: -45.144809 where: bonds (distance) C4'-P energy: -8.566 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -225.200387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.200387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.200387 (E_RNA) where: Base-Base interactions energy: -156.134 where: short stacking energy: -71.153 Base-Backbone interact. energy: -0.166 local terms energy: -68.900761 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -9.869 flat angles C4'-P-C4' energy: -15.707 flat angles P-C4'-P energy: -12.518 tors. eta vs tors. theta energy: -19.240 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: 473 Temperature: 0.950000 Total energy: -218.357362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.357362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.357362 (E_RNA) where: Base-Base interactions energy: -143.754 where: short stacking energy: -60.867 Base-Backbone interact. energy: -0.522 local terms energy: -74.082029 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -211.936557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.936557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.936557 (E_RNA) where: Base-Base interactions energy: -141.167 where: short stacking energy: -56.348 Base-Backbone interact. energy: -1.238 local terms energy: -69.531783 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -12.302 tors. eta vs tors. theta energy: -19.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -206.543040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.543040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.543040 (E_RNA) where: Base-Base interactions energy: -143.652 where: short stacking energy: -63.414 Base-Backbone interact. energy: -0.249 local terms energy: -62.641563 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -11.273 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -19.456 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: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -214.215398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.215398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.215398 (E_RNA) where: Base-Base interactions energy: -144.230 where: short stacking energy: -62.054 Base-Backbone interact. energy: -0.003 local terms energy: -69.982891 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -13.002 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -18.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -203.175645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.175645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.175645 (E_RNA) where: Base-Base interactions energy: -135.455 where: short stacking energy: -57.063 Base-Backbone interact. energy: -0.114 local terms energy: -67.606178 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -13.127 flat angles P-C4'-P energy: -9.253 tors. eta vs tors. theta energy: -18.199 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: 3 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -200.712779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.712779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.712779 (E_RNA) where: Base-Base interactions energy: -143.498 where: short stacking energy: -59.036 Base-Backbone interact. energy: -0.173 local terms energy: -57.041782 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -11.263 flat angles C4'-P-C4' energy: -10.949 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -16.830 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: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -162.589076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.589076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.589076 (E_RNA) where: Base-Base interactions energy: -104.923 where: short stacking energy: -46.823 Base-Backbone interact. energy: -0.093 local terms energy: -57.572824 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -15.766 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -10.481 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: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -72.505709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.505709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.505709 (E_RNA) where: Base-Base interactions energy: -31.070 where: short stacking energy: -23.003 Base-Backbone interact. energy: -0.291 local terms energy: -41.144694 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -84.933643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.933643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.933643 (E_RNA) where: Base-Base interactions energy: -43.656 where: short stacking energy: -23.462 Base-Backbone interact. energy: -0.178 local terms energy: -41.100021 where: bonds (distance) C4'-P energy: -15.170 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: 0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -222.236616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.236616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.236616 (E_RNA) where: Base-Base interactions energy: -152.910 where: short stacking energy: -68.106 Base-Backbone interact. energy: -0.000 local terms energy: -69.326571 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -15.604 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -20.553 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: 2, replica: 9 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -221.181332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.181332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.181332 (E_RNA) where: Base-Base interactions energy: -146.585 where: short stacking energy: -61.172 Base-Backbone interact. energy: -0.112 local terms energy: -74.484189 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -17.264 flat angles P-C4'-P energy: -11.100 tors. eta vs tors. theta energy: -18.419 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: 5 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -222.183237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.183237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.183237 (E_RNA) where: Base-Base interactions energy: -152.289 where: short stacking energy: -68.449 Base-Backbone interact. energy: -2.146 local terms energy: -67.748314 where: bonds (distance) C4'-P energy: -10.085 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -21.249 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: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -213.218343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.218343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.218343 (E_RNA) where: Base-Base interactions energy: -149.906 where: short stacking energy: -63.938 Base-Backbone interact. energy: -0.141 local terms energy: -63.170890 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -16.581 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: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -205.835942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.835942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.835942 (E_RNA) where: Base-Base interactions energy: -139.853 where: short stacking energy: -63.709 Base-Backbone interact. energy: -0.100 local terms energy: -65.882941 where: bonds (distance) C4'-P energy: -13.262 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -15.619 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: 474 Temperature: 1.150000 Total energy: -203.993295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.993295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.993295 (E_RNA) where: Base-Base interactions energy: -143.214 where: short stacking energy: -57.194 Base-Backbone interact. energy: -0.292 local terms energy: -60.487245 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -12.670 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -15.462 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: 3 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -199.212577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.212577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.212577 (E_RNA) where: Base-Base interactions energy: -133.996 where: short stacking energy: -53.438 Base-Backbone interact. energy: -0.058 local terms energy: -65.158752 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -11.166 tors. eta vs tors. theta energy: -15.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -188.649356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.649356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.649356 (E_RNA) where: Base-Base interactions energy: -135.843 where: short stacking energy: -58.224 Base-Backbone interact. energy: -0.031 local terms energy: -52.775557 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -14.077 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: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -73.649849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.649849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.649849 (E_RNA) where: Base-Base interactions energy: -20.964 where: short stacking energy: -20.964 Base-Backbone interact. energy: -0.119 local terms energy: -52.566575 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -1.661 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: 1 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -70.286718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.286718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.286718 (E_RNA) where: Base-Base interactions energy: -29.720 where: short stacking energy: -24.184 Base-Backbone interact. energy: -0.040 local terms energy: -40.526743 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -12.498 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -7.404 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: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -220.232771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.232771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.232771 (E_RNA) where: Base-Base interactions energy: -149.340 where: short stacking energy: -67.388 Base-Backbone interact. energy: -2.740 local terms energy: -68.153450 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -16.445 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: 2, replica: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -218.876614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.876614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.876614 (E_RNA) where: Base-Base interactions energy: -153.673 where: short stacking energy: -70.724 Base-Backbone interact. energy: -0.128 local terms energy: -65.075645 where: bonds (distance) C4'-P energy: -13.941 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -17.826 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: 9 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -209.105312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.105312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.105312 (E_RNA) where: Base-Base interactions energy: -145.602 where: short stacking energy: -63.055 Base-Backbone interact. energy: -0.152 local terms energy: -63.351377 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -12.702 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -214.398863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.398863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.398863 (E_RNA) where: Base-Base interactions energy: -145.146 where: short stacking energy: -64.233 Base-Backbone interact. energy: -0.015 local terms energy: -69.237782 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -10.089 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -9.240 tors. eta vs tors. theta energy: -20.647 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: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -205.092667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.092667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.092667 (E_RNA) where: Base-Base interactions energy: -137.014 where: short stacking energy: -60.262 Base-Backbone interact. energy: -0.010 local terms energy: -68.068114 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -12.059 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -10.396 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: 6, replica: 3 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -205.385605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.385605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.385605 (E_RNA) where: Base-Base interactions energy: -140.731 where: short stacking energy: -64.646 Base-Backbone interact. energy: -0.011 local terms energy: -64.643551 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -17.752 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: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -198.280698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.280698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.280698 (E_RNA) where: Base-Base interactions energy: -130.092 where: short stacking energy: -58.119 Base-Backbone interact. energy: -0.000 local terms energy: -68.188466 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -14.608 flat angles P-C4'-P energy: -11.344 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: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -189.735479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.735479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.735479 (E_RNA) where: Base-Base interactions energy: -130.851 where: short stacking energy: -55.349 Base-Backbone interact. energy: -0.232 local terms energy: -58.652641 where: bonds (distance) C4'-P energy: -11.112 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -10.625 tors. eta vs tors. theta energy: -10.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -81.045193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.045193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.045193 (E_RNA) where: Base-Base interactions energy: -27.373 where: short stacking energy: -25.783 Base-Backbone interact. energy: -0.146 local terms energy: -53.526065 where: bonds (distance) C4'-P energy: -15.410 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -10.766 flat angles P-C4'-P energy: -11.821 tors. eta vs tors. theta energy: -2.461 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: 475 Temperature: 1.350000 Total energy: -73.270488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.270488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.270488 (E_RNA) where: Base-Base interactions energy: -24.709 where: short stacking energy: -22.929 Base-Backbone interact. energy: -2.189 local terms energy: -46.372260 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -4.652 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: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -223.619475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.619475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.619475 (E_RNA) where: Base-Base interactions energy: -148.221 where: short stacking energy: -65.966 Base-Backbone interact. energy: -0.014 local terms energy: -75.384523 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -9.885 tors. eta vs tors. theta energy: -20.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -217.074694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.074694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.074694 (E_RNA) where: Base-Base interactions energy: -147.250 where: short stacking energy: -66.542 Base-Backbone interact. energy: -0.333 local terms energy: -69.492072 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -13.868 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -18.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -211.689752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.689752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.689752 (E_RNA) where: Base-Base interactions energy: -140.054 where: short stacking energy: -63.371 Base-Backbone interact. energy: 1.172 local terms energy: -72.807400 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -14.732 flat angles C4'-P-C4' energy: -13.587 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -18.792 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: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -216.469691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.469691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.469691 (E_RNA) where: Base-Base interactions energy: -145.168 where: short stacking energy: -63.536 Base-Backbone interact. energy: -0.271 local terms energy: -71.030442 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -13.089 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -20.601 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: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -211.184742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.184742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.184742 (E_RNA) where: Base-Base interactions energy: -146.359 where: short stacking energy: -65.657 Base-Backbone interact. energy: -0.105 local terms energy: -64.721404 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -10.333 tors. eta vs tors. theta energy: -17.692 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: 6, replica: 2 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -209.258050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.258050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.258050 (E_RNA) where: Base-Base interactions energy: -146.879 where: short stacking energy: -69.053 Base-Backbone interact. energy: -0.811 local terms energy: -61.568256 where: bonds (distance) C4'-P energy: -11.228 bonds (distance) P-C4' energy: -8.292 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -12.083 tors. eta vs tors. theta energy: -17.653 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: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -200.682049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.682049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.682049 (E_RNA) where: Base-Base interactions energy: -132.241 where: short stacking energy: -59.172 Base-Backbone interact. energy: -0.492 local terms energy: -67.949416 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -16.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -200.891852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.891852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.891852 (E_RNA) where: Base-Base interactions energy: -141.550 where: short stacking energy: -59.622 Base-Backbone interact. energy: -0.686 local terms energy: -58.655774 where: bonds (distance) C4'-P energy: -7.341 bonds (distance) P-C4' energy: -8.738 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -18.663 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: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -75.435352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.435352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.435352 (E_RNA) where: Base-Base interactions energy: -29.276 where: short stacking energy: -29.276 Base-Backbone interact. energy: -0.013 local terms energy: -46.145783 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -8.505 flat angles P-C4'-P energy: -7.764 tors. eta vs tors. theta energy: -6.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -85.477046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.477046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.477046 (E_RNA) where: Base-Base interactions energy: -31.764 where: short stacking energy: -31.764 Base-Backbone interact. energy: -0.033 local terms energy: -53.680289 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -8.334 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: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -220.071432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.071432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.071432 (E_RNA) where: Base-Base interactions energy: -149.044 where: short stacking energy: -68.226 Base-Backbone interact. energy: -0.004 local terms energy: -71.023276 where: bonds (distance) C4'-P energy: -15.216 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -8.558 tors. eta vs tors. theta energy: -20.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -215.085979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.085979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.085979 (E_RNA) where: Base-Base interactions energy: -146.435 where: short stacking energy: -62.097 Base-Backbone interact. energy: -0.042 local terms energy: -68.608297 where: bonds (distance) C4'-P energy: -15.819 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -18.323 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: 477 Temperature: 1.000000 Total energy: -215.676606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.676606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.676606 (E_RNA) where: Base-Base interactions energy: -145.971 where: short stacking energy: -66.837 Base-Backbone interact. energy: -0.025 local terms energy: -69.680269 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -17.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -212.695206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.695206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.695206 (E_RNA) where: Base-Base interactions energy: -141.375 where: short stacking energy: -56.931 Base-Backbone interact. energy: -0.610 local terms energy: -70.710890 where: bonds (distance) C4'-P energy: -13.669 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -12.857 tors. eta vs tors. theta energy: -16.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -213.037530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.037530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.037530 (E_RNA) where: Base-Base interactions energy: -146.649 where: short stacking energy: -63.452 Base-Backbone interact. energy: -0.241 local terms energy: -66.148207 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -11.195 flat angles C4'-P-C4' energy: -11.957 flat angles P-C4'-P energy: -10.709 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: 6, replica: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -203.686419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.686419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.686419 (E_RNA) where: Base-Base interactions energy: -139.985 where: short stacking energy: -60.408 Base-Backbone interact. energy: -0.645 local terms energy: -63.057144 where: bonds (distance) C4'-P energy: -14.606 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -16.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -192.828620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.828620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.828620 (E_RNA) where: Base-Base interactions energy: -128.051 where: short stacking energy: -51.142 Base-Backbone interact. energy: -0.000 local terms energy: -64.777625 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -18.179 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: 8, replica: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -193.465114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.465114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.465114 (E_RNA) where: Base-Base interactions energy: -137.005 where: short stacking energy: -57.616 Base-Backbone interact. energy: -0.049 local terms energy: -56.411930 where: bonds (distance) C4'-P energy: -11.401 bonds (distance) P-C4' energy: -10.480 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -9.165 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: 9, replica: 1 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -80.003882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.003882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.003882 (E_RNA) where: Base-Base interactions energy: -39.385 where: short stacking energy: -32.580 Base-Backbone interact. energy: -0.165 local terms energy: -40.454403 where: bonds (distance) C4'-P energy: -10.370 bonds (distance) P-C4' energy: -13.307 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -2.252 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -80.165076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.165076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.165076 (E_RNA) where: Base-Base interactions energy: -34.664 where: short stacking energy: -31.511 Base-Backbone interact. energy: -0.071 local terms energy: -45.430104 where: bonds (distance) C4'-P energy: -15.385 bonds (distance) P-C4' energy: -13.012 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -1.372 tors. eta vs tors. theta energy: -4.598 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: 478 Temperature: 0.900000 Total energy: -222.206625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.206625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.206625 (E_RNA) where: Base-Base interactions energy: -152.445 where: short stacking energy: -66.140 Base-Backbone interact. energy: -0.579 local terms energy: -69.182223 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -14.965 flat angles P-C4'-P energy: -11.454 tors. eta vs tors. theta energy: -16.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -216.814806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.814806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.814806 (E_RNA) where: Base-Base interactions energy: -148.196 where: short stacking energy: -62.350 Base-Backbone interact. energy: -0.005 local terms energy: -68.613231 where: bonds (distance) C4'-P energy: -11.499 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -12.358 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -20.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -220.740799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.740799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.740799 (E_RNA) where: Base-Base interactions energy: -154.353 where: short stacking energy: -64.495 Base-Backbone interact. energy: -1.842 local terms energy: -64.546126 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -10.296 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -9.068 tors. eta vs tors. theta energy: -16.966 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: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -212.550391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.550391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.550391 (E_RNA) where: Base-Base interactions energy: -142.331 where: short stacking energy: -58.169 Base-Backbone interact. energy: -0.061 local terms energy: -70.158158 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -13.577 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -11.319 tors. eta vs tors. theta energy: -14.719 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: 5, replica: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -206.434877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.434877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.434877 (E_RNA) where: Base-Base interactions energy: -141.919 where: short stacking energy: -62.188 Base-Backbone interact. energy: 0.073 local terms energy: -64.588967 where: bonds (distance) C4'-P energy: -8.177 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -18.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -207.853926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.853926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.853926 (E_RNA) where: Base-Base interactions energy: -138.011 where: short stacking energy: -58.060 Base-Backbone interact. energy: -0.988 local terms energy: -68.854534 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -15.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -192.697166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.697166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.697166 (E_RNA) where: Base-Base interactions energy: -131.647 where: short stacking energy: -49.769 Base-Backbone interact. energy: -0.106 local terms energy: -60.944278 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -9.469 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -17.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -197.545695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.545695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.545695 (E_RNA) where: Base-Base interactions energy: -133.114 where: short stacking energy: -55.866 Base-Backbone interact. energy: -0.124 local terms energy: -64.307167 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -10.945 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -16.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -77.694641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.694641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.694641 (E_RNA) where: Base-Base interactions energy: -31.957 where: short stacking energy: -25.604 Base-Backbone interact. energy: 0.386 local terms energy: -46.123224 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -1.153 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -81.095081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.095081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.095081 (E_RNA) where: Base-Base interactions energy: -35.291 where: short stacking energy: -35.291 Base-Backbone interact. energy: -0.109 local terms energy: -45.694653 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -10.172 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -6.026 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: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -219.746900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.746900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.746900 (E_RNA) where: Base-Base interactions energy: -144.727 where: short stacking energy: -61.034 Base-Backbone interact. energy: -0.362 local terms energy: -74.658463 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -12.723 flat angles C4'-P-C4' energy: -16.937 flat angles P-C4'-P energy: -12.523 tors. eta vs tors. theta energy: -19.236 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: 5 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -216.062862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.062862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.062862 (E_RNA) where: Base-Base interactions energy: -146.899 where: short stacking energy: -68.506 Base-Backbone interact. energy: -0.007 local terms energy: -69.156632 where: bonds (distance) C4'-P energy: -15.609 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -16.246 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -19.355 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: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -210.887041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.887041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.887041 (E_RNA) where: Base-Base interactions energy: -151.049 where: short stacking energy: -58.131 Base-Backbone interact. energy: -0.600 local terms energy: -59.238594 where: bonds (distance) C4'-P energy: -8.885 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -14.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -210.367302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.367302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.367302 (E_RNA) where: Base-Base interactions energy: -141.610 where: short stacking energy: -58.638 Base-Backbone interact. energy: -1.186 local terms energy: -67.571064 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -20.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -206.881203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.881203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.881203 (E_RNA) where: Base-Base interactions energy: -143.078 where: short stacking energy: -61.247 Base-Backbone interact. energy: -0.009 local terms energy: -63.794469 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -14.043 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -19.235 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: 9 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -210.155529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.155529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.155529 (E_RNA) where: Base-Base interactions energy: -136.075 where: short stacking energy: -61.322 Base-Backbone interact. energy: -0.221 local terms energy: -73.859788 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -16.361 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -18.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -200.776465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.776465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.776465 (E_RNA) where: Base-Base interactions energy: -134.261 where: short stacking energy: -56.039 Base-Backbone interact. energy: -0.193 local terms energy: -66.322734 where: bonds (distance) C4'-P energy: -8.027 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -19.184 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: 4 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -77.726956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.726956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.726956 (E_RNA) where: Base-Base interactions energy: -26.367 where: short stacking energy: -24.796 Base-Backbone interact. energy: -0.286 local terms energy: -51.074498 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -12.174 flat angles P-C4'-P energy: -11.439 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -189.535070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.535070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.535070 (E_RNA) where: Base-Base interactions energy: -130.196 where: short stacking energy: -56.796 Base-Backbone interact. energy: -0.100 local terms energy: -59.238182 where: bonds (distance) C4'-P energy: -9.011 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -11.882 flat angles P-C4'-P energy: -9.922 tors. eta vs tors. theta energy: -14.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -74.016230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.016230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.016230 (E_RNA) where: Base-Base interactions energy: -24.794 where: short stacking energy: -21.081 Base-Backbone interact. energy: 0.681 local terms energy: -49.903462 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -10.119 flat angles P-C4'-P energy: -9.693 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -223.854310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.854310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.854310 (E_RNA) where: Base-Base interactions energy: -151.800 where: short stacking energy: -65.203 Base-Backbone interact. energy: -0.341 local terms energy: -71.713754 where: bonds (distance) C4'-P energy: -14.068 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -11.465 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: 2, replica: 6 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -218.292520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.292520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.292520 (E_RNA) where: Base-Base interactions energy: -150.846 where: short stacking energy: -62.479 Base-Backbone interact. energy: -0.143 local terms energy: -67.303319 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -18.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -213.667386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.667386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.667386 (E_RNA) where: Base-Base interactions energy: -142.526 where: short stacking energy: -64.678 Base-Backbone interact. energy: -0.058 local terms energy: -71.083566 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -11.008 tors. eta vs tors. theta energy: -15.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -217.019463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.019463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.019463 (E_RNA) where: Base-Base interactions energy: -146.264 where: short stacking energy: -68.407 Base-Backbone interact. energy: -2.315 local terms energy: -68.441265 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -20.902 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: 480 Temperature: 1.100000 Total energy: -202.039167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.039167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.039167 (E_RNA) where: Base-Base interactions energy: -140.018 where: short stacking energy: -54.816 Base-Backbone interact. energy: -0.081 local terms energy: -61.939960 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -12.966 tors. eta vs tors. theta energy: -14.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -200.538938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.538938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.538938 (E_RNA) where: Base-Base interactions energy: -133.456 where: short stacking energy: -56.541 Base-Backbone interact. energy: -0.002 local terms energy: -67.080704 where: bonds (distance) C4'-P energy: -16.175 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -10.594 tors. eta vs tors. theta energy: -13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -204.964936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.964936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.964936 (E_RNA) where: Base-Base interactions energy: -141.558 where: short stacking energy: -63.999 Base-Backbone interact. energy: -0.020 local terms energy: -63.387010 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -9.946 flat angles P-C4'-P energy: -11.881 tors. eta vs tors. theta energy: -17.224 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: 4 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -92.266080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.266080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.266080 (E_RNA) where: Base-Base interactions energy: -37.972 where: short stacking energy: -37.538 Base-Backbone interact. energy: -0.215 local terms energy: -54.078563 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -14.957 flat angles C4'-P-C4' energy: -11.261 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -6.499 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: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -198.340455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.340455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.340455 (E_RNA) where: Base-Base interactions energy: -130.408 where: short stacking energy: -55.838 Base-Backbone interact. energy: -0.001 local terms energy: -67.931506 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -12.688 tors. eta vs tors. theta energy: -15.423 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: 480 Temperature: 1.350000 Total energy: -76.151413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.151413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.151413 (E_RNA) where: Base-Base interactions energy: -28.662 where: short stacking energy: -28.662 Base-Backbone interact. energy: -0.133 local terms energy: -47.355949 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -8.518 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -223.162164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.162164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.162164 (E_RNA) where: Base-Base interactions energy: -147.688 where: short stacking energy: -63.773 Base-Backbone interact. energy: 0.032 local terms energy: -75.506009 where: bonds (distance) C4'-P energy: -15.723 bonds (distance) P-C4' energy: -15.192 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -14.021 tors. eta vs tors. theta energy: -18.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -215.029661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.029661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.029661 (E_RNA) where: Base-Base interactions energy: -150.734 where: short stacking energy: -68.284 Base-Backbone interact. energy: -0.030 local terms energy: -64.265005 where: bonds (distance) C4'-P energy: -11.170 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -18.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -218.334541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.334541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.334541 (E_RNA) where: Base-Base interactions energy: -146.990 where: short stacking energy: -64.555 Base-Backbone interact. energy: -0.000 local terms energy: -71.344236 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -19.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -210.483509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.483509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.483509 (E_RNA) where: Base-Base interactions energy: -139.183 where: short stacking energy: -63.146 Base-Backbone interact. energy: -0.081 local terms energy: -71.219285 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -15.663 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -18.715 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: 9 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -203.122381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.122381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.122381 (E_RNA) where: Base-Base interactions energy: -139.936 where: short stacking energy: -60.490 Base-Backbone interact. energy: -0.212 local terms energy: -62.974133 where: bonds (distance) C4'-P energy: -10.859 bonds (distance) P-C4' energy: -10.078 flat angles C4'-P-C4' energy: -14.337 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -16.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -203.640179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.640179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.640179 (E_RNA) where: Base-Base interactions energy: -136.509 where: short stacking energy: -62.491 Base-Backbone interact. energy: -0.003 local terms energy: -67.128256 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -15.935 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: 7, replica: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -198.965546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.965546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.965546 (E_RNA) where: Base-Base interactions energy: -139.318 where: short stacking energy: -56.191 Base-Backbone interact. energy: -0.010 local terms energy: -59.637053 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -10.561 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -14.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -196.239978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.239978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.239978 (E_RNA) where: Base-Base interactions energy: -134.656 where: short stacking energy: -59.545 Base-Backbone interact. energy: -0.065 local terms energy: -61.518385 where: bonds (distance) C4'-P energy: -9.472 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -78.622170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.622170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.622170 (E_RNA) where: Base-Base interactions energy: -25.636 where: short stacking energy: -25.636 Base-Backbone interact. energy: -0.197 local terms energy: -52.789187 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -84.287648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.287648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.287648 (E_RNA) where: Base-Base interactions energy: -34.346 where: short stacking energy: -34.346 Base-Backbone interact. energy: 0.008 local terms energy: -49.949423 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -225.758850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.758850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.758850 (E_RNA) where: Base-Base interactions energy: -154.931 where: short stacking energy: -66.402 Base-Backbone interact. energy: -0.009 local terms energy: -70.818835 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -15.537 flat angles P-C4'-P energy: -9.977 tors. eta vs tors. theta energy: -18.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -213.671930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.671930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.671930 (E_RNA) where: Base-Base interactions energy: -141.171 where: short stacking energy: -57.625 Base-Backbone interact. energy: -1.565 local terms energy: -70.936407 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -18.619 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: 7 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -216.599080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.599080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.599080 (E_RNA) where: Base-Base interactions energy: -147.445 where: short stacking energy: -67.035 Base-Backbone interact. energy: -0.005 local terms energy: -69.149232 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -17.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -209.686249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.686249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.686249 (E_RNA) where: Base-Base interactions energy: -142.829 where: short stacking energy: -61.802 Base-Backbone interact. energy: -0.092 local terms energy: -66.764719 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -19.012 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: 482 Temperature: 1.100000 Total energy: -203.698861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.698861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.698861 (E_RNA) where: Base-Base interactions energy: -141.881 where: short stacking energy: -59.728 Base-Backbone interact. energy: -0.204 local terms energy: -61.613536 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -10.446 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -15.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -202.084353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.084353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.084353 (E_RNA) where: Base-Base interactions energy: -146.336 where: short stacking energy: -62.837 Base-Backbone interact. energy: -0.093 local terms energy: -55.655714 where: bonds (distance) C4'-P energy: -10.651 bonds (distance) P-C4' energy: -10.449 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -14.212 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: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -205.418460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.418460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.418460 (E_RNA) where: Base-Base interactions energy: -137.859 where: short stacking energy: -59.542 Base-Backbone interact. energy: -0.269 local terms energy: -67.290500 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -14.313 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -12.574 tors. eta vs tors. theta energy: -17.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -199.790530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.790530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.790530 (E_RNA) where: Base-Base interactions energy: -138.802 where: short stacking energy: -62.196 Base-Backbone interact. energy: -0.410 local terms energy: -60.578655 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -14.331 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -16.034 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: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -74.685744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.685744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.685744 (E_RNA) where: Base-Base interactions energy: -24.237 where: short stacking energy: -24.237 Base-Backbone interact. energy: -0.189 local terms energy: -50.260028 where: bonds (distance) C4'-P energy: -15.011 bonds (distance) P-C4' energy: -10.510 flat angles C4'-P-C4' energy: -14.796 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -79.696924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.696924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.696924 (E_RNA) where: Base-Base interactions energy: -33.675 where: short stacking energy: -26.428 Base-Backbone interact. energy: 1.944 local terms energy: -47.966253 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -9.534 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -6.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -217.204737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.204737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.204737 (E_RNA) where: Base-Base interactions energy: -146.801 where: short stacking energy: -61.781 Base-Backbone interact. energy: -0.560 local terms energy: -69.843652 where: bonds (distance) C4'-P energy: -13.691 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -12.317 tors. eta vs tors. theta energy: -17.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -220.081888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.081888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.081888 (E_RNA) where: Base-Base interactions energy: -148.520 where: short stacking energy: -68.576 Base-Backbone interact. energy: -0.159 local terms energy: -71.403083 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -11.161 tors. eta vs tors. theta energy: -19.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -216.159330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.159330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.159330 (E_RNA) where: Base-Base interactions energy: -145.490 where: short stacking energy: -60.940 Base-Backbone interact. energy: -0.618 local terms energy: -70.051457 where: bonds (distance) C4'-P energy: -15.480 bonds (distance) P-C4' energy: -13.629 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -16.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -211.293968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.293968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.293968 (E_RNA) where: Base-Base interactions energy: -147.436 where: short stacking energy: -61.254 Base-Backbone interact. energy: -0.112 local terms energy: -63.745324 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -12.904 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -16.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -202.012156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.012156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.012156 (E_RNA) where: Base-Base interactions energy: -141.986 where: short stacking energy: -56.528 Base-Backbone interact. energy: -0.100 local terms energy: -59.926440 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -13.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -212.160199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.160199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.160199 (E_RNA) where: Base-Base interactions energy: -146.570 where: short stacking energy: -59.094 Base-Backbone interact. energy: -0.002 local terms energy: -65.588597 where: bonds (distance) C4'-P energy: -10.342 bonds (distance) P-C4' energy: -14.624 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -17.750 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: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -195.235830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.235830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.235830 (E_RNA) where: Base-Base interactions energy: -137.440 where: short stacking energy: -56.188 Base-Backbone interact. energy: -0.217 local terms energy: -57.579277 where: bonds (distance) C4'-P energy: -8.823 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: -13.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -191.900697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.900697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.900697 (E_RNA) where: Base-Base interactions energy: -131.962 where: short stacking energy: -56.574 Base-Backbone interact. energy: -0.046 local terms energy: -59.892793 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -11.749 flat angles C4'-P-C4' energy: -15.107 flat angles P-C4'-P energy: -9.954 tors. eta vs tors. theta energy: -10.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -85.578993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.578993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.578993 (E_RNA) where: Base-Base interactions energy: -38.114 where: short stacking energy: -37.002 Base-Backbone interact. energy: 0.301 local terms energy: -47.765751 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -12.783 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -96.231775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.231775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.231775 (E_RNA) where: Base-Base interactions energy: -50.874 where: short stacking energy: -15.322 Base-Backbone interact. energy: -0.147 local terms energy: -45.210757 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -10.177 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -2.169 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: 5 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -218.821348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.821348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.821348 (E_RNA) where: Base-Base interactions energy: -149.561 where: short stacking energy: -66.956 Base-Backbone interact. energy: -0.018 local terms energy: -69.242467 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -211.275980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.275980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.275980 (E_RNA) where: Base-Base interactions energy: -142.426 where: short stacking energy: -59.452 Base-Backbone interact. energy: -0.046 local terms energy: -68.804493 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -14.267 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -11.672 tors. eta vs tors. theta energy: -15.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -214.616105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.616105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.616105 (E_RNA) where: Base-Base interactions energy: -149.997 where: short stacking energy: -64.076 Base-Backbone interact. energy: -0.001 local terms energy: -64.618323 where: bonds (distance) C4'-P energy: -11.009 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -15.396 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: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -209.060297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.060297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.060297 (E_RNA) where: Base-Base interactions energy: -140.523 where: short stacking energy: -59.196 Base-Backbone interact. energy: 0.514 local terms energy: -69.051346 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -11.778 tors. eta vs tors. theta energy: -16.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -201.469087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.469087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.469087 (E_RNA) where: Base-Base interactions energy: -137.341 where: short stacking energy: -56.636 Base-Backbone interact. energy: -0.009 local terms energy: -64.118879 where: bonds (distance) C4'-P energy: -14.867 bonds (distance) P-C4' energy: -11.952 flat angles C4'-P-C4' energy: -12.398 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -16.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -208.137210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.137210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.137210 (E_RNA) where: Base-Base interactions energy: -145.819 where: short stacking energy: -65.733 Base-Backbone interact. energy: -0.389 local terms energy: -61.928981 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -21.197 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: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -205.090576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.090576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.090576 (E_RNA) where: Base-Base interactions energy: -138.782 where: short stacking energy: -55.616 Base-Backbone interact. energy: -0.045 local terms energy: -66.263936 where: bonds (distance) C4'-P energy: -6.658 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -14.331 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -18.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -207.359306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.359306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.359306 (E_RNA) where: Base-Base interactions energy: -140.324 where: short stacking energy: -61.472 Base-Backbone interact. energy: -0.003 local terms energy: -67.031894 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -18.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -76.298986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.298986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.298986 (E_RNA) where: Base-Base interactions energy: -31.033 where: short stacking energy: -26.158 Base-Backbone interact. energy: 1.629 local terms energy: -46.895294 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -10.095 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -0.699 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: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -69.213750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.213750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.213750 (E_RNA) where: Base-Base interactions energy: -21.471 where: short stacking energy: -21.471 Base-Backbone interact. energy: -1.118 local terms energy: -46.624941 where: bonds (distance) C4'-P energy: -12.805 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: 0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -225.348093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.348093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.348093 (E_RNA) where: Base-Base interactions energy: -157.054 where: short stacking energy: -65.067 Base-Backbone interact. energy: -0.879 local terms energy: -67.415225 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -13.524 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -18.445 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: 2, replica: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -216.446908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.446908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.446908 (E_RNA) where: Base-Base interactions energy: -149.970 where: short stacking energy: -66.497 Base-Backbone interact. energy: -0.106 local terms energy: -66.371678 where: bonds (distance) C4'-P energy: -8.158 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -20.031 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: 485 Temperature: 1.000000 Total energy: -213.616449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.616449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.616449 (E_RNA) where: Base-Base interactions energy: -145.333 where: short stacking energy: -68.505 Base-Backbone interact. energy: -0.587 local terms energy: -67.696829 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -13.084 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -21.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -207.518420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.518420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.518420 (E_RNA) where: Base-Base interactions energy: -140.972 where: short stacking energy: -61.399 Base-Backbone interact. energy: -0.000 local terms energy: -66.545790 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -9.197 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -12.658 tors. eta vs tors. theta energy: -15.338 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: 8 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -208.276143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.276143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.276143 (E_RNA) where: Base-Base interactions energy: -142.012 where: short stacking energy: -62.011 Base-Backbone interact. energy: -0.060 local terms energy: -66.204196 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -11.132 flat angles C4'-P-C4' energy: -15.867 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -16.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -211.067859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.067859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.067859 (E_RNA) where: Base-Base interactions energy: -142.710 where: short stacking energy: -62.568 Base-Backbone interact. energy: -0.007 local terms energy: -68.350739 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -9.783 tors. eta vs tors. theta energy: -18.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -194.949990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.949990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.949990 (E_RNA) where: Base-Base interactions energy: -137.821 where: short stacking energy: -50.261 Base-Backbone interact. energy: -0.280 local terms energy: -56.848894 where: bonds (distance) C4'-P energy: -8.115 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -14.028 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: 10 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -194.191613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.191613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.191613 (E_RNA) where: Base-Base interactions energy: -131.129 where: short stacking energy: -60.312 Base-Backbone interact. energy: -0.002 local terms energy: -63.060593 where: bonds (distance) C4'-P energy: -11.886 bonds (distance) P-C4' energy: -11.758 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -15.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -80.202412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.202412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.202412 (E_RNA) where: Base-Base interactions energy: -32.037 where: short stacking energy: -22.485 Base-Backbone interact. energy: -0.209 local terms energy: -47.956559 where: bonds (distance) C4'-P energy: -9.352 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -7.499 tors. eta vs tors. theta energy: -4.873 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: 10, replica: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -72.472905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.472905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.472905 (E_RNA) where: Base-Base interactions energy: -33.786 where: short stacking energy: -21.907 Base-Backbone interact. energy: 1.250 local terms energy: -39.936955 where: bonds (distance) C4'-P energy: -8.806 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -222.557977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.557977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.557977 (E_RNA) where: Base-Base interactions energy: -153.943 where: short stacking energy: -65.851 Base-Backbone interact. energy: 0.190 local terms energy: -68.804954 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -8.477 flat angles C4'-P-C4' energy: -15.969 flat angles P-C4'-P energy: -12.665 tors. eta vs tors. theta energy: -17.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -218.186995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.186995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.186995 (E_RNA) where: Base-Base interactions energy: -145.243 where: short stacking energy: -59.292 Base-Backbone interact. energy: -0.624 local terms energy: -72.319685 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: -20.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -216.144660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.144660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.144660 (E_RNA) where: Base-Base interactions energy: -147.780 where: short stacking energy: -61.259 Base-Backbone interact. energy: -0.089 local terms energy: -68.275641 where: bonds (distance) C4'-P energy: -9.439 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -19.517 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: 7 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -213.576330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.576330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.576330 (E_RNA) where: Base-Base interactions energy: -141.355 where: short stacking energy: -61.719 Base-Backbone interact. energy: -0.311 local terms energy: -71.909875 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -18.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -206.485066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.485066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.485066 (E_RNA) where: Base-Base interactions energy: -145.020 where: short stacking energy: -60.920 Base-Backbone interact. energy: -0.104 local terms energy: -61.361090 where: bonds (distance) C4'-P energy: -14.277 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -6.848 tors. eta vs tors. theta energy: -13.960 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: 6, replica: 8 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -203.208305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.208305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.208305 (E_RNA) where: Base-Base interactions energy: -132.499 where: short stacking energy: -57.050 Base-Backbone interact. energy: -0.015 local terms energy: -70.694015 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -9.971 tors. eta vs tors. theta energy: -17.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -199.163658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.163658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.163658 (E_RNA) where: Base-Base interactions energy: -137.054 where: short stacking energy: -61.222 Base-Backbone interact. energy: -0.000 local terms energy: -62.109729 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -0.069 tors. eta vs tors. theta energy: -16.792 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: 10 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -158.725424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.725424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.725424 (E_RNA) where: Base-Base interactions energy: -109.529 where: short stacking energy: -47.323 Base-Backbone interact. energy: -0.076 local terms energy: -49.120418 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -9.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -78.003984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.003984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.003984 (E_RNA) where: Base-Base interactions energy: -36.345 where: short stacking energy: -14.016 Base-Backbone interact. energy: 0.158 local terms energy: -41.817134 where: bonds (distance) C4'-P energy: -11.249 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: 4.759 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: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -67.623850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.623850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.623850 (E_RNA) where: Base-Base interactions energy: -28.002 where: short stacking energy: -28.002 Base-Backbone interact. energy: -0.037 local terms energy: -39.585092 where: bonds (distance) C4'-P energy: -9.625 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: 1.899 tors. eta vs tors. theta energy: -6.499 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: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -220.644422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.644422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.644422 (E_RNA) where: Base-Base interactions energy: -148.606 where: short stacking energy: -60.733 Base-Backbone interact. energy: -0.068 local terms energy: -71.970758 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -15.449 flat angles P-C4'-P energy: -11.524 tors. eta vs tors. theta energy: -15.874 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: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -223.821780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.821780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.821780 (E_RNA) where: Base-Base interactions energy: -147.659 where: short stacking energy: -67.278 Base-Backbone interact. energy: -0.002 local terms energy: -76.161587 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -16.452 flat angles P-C4'-P energy: -12.910 tors. eta vs tors. theta energy: -19.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -215.676974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.676974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.676974 (E_RNA) where: Base-Base interactions energy: -143.979 where: short stacking energy: -65.154 Base-Backbone interact. energy: 1.638 local terms energy: -73.335775 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -20.951 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: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -207.993308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.993308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.993308 (E_RNA) where: Base-Base interactions energy: -144.268 where: short stacking energy: -64.005 Base-Backbone interact. energy: -0.006 local terms energy: -63.719293 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -19.669 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: 7 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -207.854325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.854325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.854325 (E_RNA) where: Base-Base interactions energy: -145.259 where: short stacking energy: -67.444 Base-Backbone interact. energy: -0.334 local terms energy: -62.261696 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -18.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -202.820418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.820418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.820418 (E_RNA) where: Base-Base interactions energy: -140.524 where: short stacking energy: -57.468 Base-Backbone interact. energy: -0.011 local terms energy: -62.285014 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -9.018 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -11.830 tors. eta vs tors. theta energy: -14.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -168.959587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.959587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.959587 (E_RNA) where: Base-Base interactions energy: -116.345 where: short stacking energy: -52.563 Base-Backbone interact. energy: -0.177 local terms energy: -52.436625 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -11.485 flat angles C4'-P-C4' energy: -9.827 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -11.573 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: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -85.174138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.174138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.174138 (E_RNA) where: Base-Base interactions energy: -32.457 where: short stacking energy: -32.457 Base-Backbone interact. energy: -0.001 local terms energy: -52.715981 where: bonds (distance) C4'-P energy: -6.646 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -9.171 flat angles P-C4'-P energy: -13.683 tors. eta vs tors. theta energy: -7.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -177.494758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.494758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.494758 (E_RNA) where: Base-Base interactions energy: -123.261 where: short stacking energy: -44.511 Base-Backbone interact. energy: -0.589 local terms energy: -53.644837 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -11.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -70.924874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.924874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.924874 (E_RNA) where: Base-Base interactions energy: -26.816 where: short stacking energy: -25.612 Base-Backbone interact. energy: 0.997 local terms energy: -45.105399 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -2.032 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: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -221.745240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.745240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.745240 (E_RNA) where: Base-Base interactions energy: -149.299 where: short stacking energy: -65.139 Base-Backbone interact. energy: -0.002 local terms energy: -72.444104 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -13.495 flat angles P-C4'-P energy: -12.731 tors. eta vs tors. theta energy: -17.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -215.793055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.793055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.793055 (E_RNA) where: Base-Base interactions energy: -143.211 where: short stacking energy: -62.918 Base-Backbone interact. energy: -0.081 local terms energy: -72.500627 where: bonds (distance) C4'-P energy: -15.973 bonds (distance) P-C4' energy: -13.237 flat angles C4'-P-C4' energy: -15.402 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -19.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -228.238183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.238183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.238183 (E_RNA) where: Base-Base interactions energy: -153.703 where: short stacking energy: -69.901 Base-Backbone interact. energy: -0.297 local terms energy: -74.237923 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -20.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -208.597683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.597683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.597683 (E_RNA) where: Base-Base interactions energy: -141.311 where: short stacking energy: -60.111 Base-Backbone interact. energy: -0.009 local terms energy: -67.277543 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -9.607 tors. eta vs tors. theta energy: -16.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -206.471670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.471670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.471670 (E_RNA) where: Base-Base interactions energy: -140.516 where: short stacking energy: -64.997 Base-Backbone interact. energy: -0.066 local terms energy: -65.889595 where: bonds (distance) C4'-P energy: -13.492 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -18.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -199.920481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.920481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.920481 (E_RNA) where: Base-Base interactions energy: -138.562 where: short stacking energy: -58.822 Base-Backbone interact. energy: -0.003 local terms energy: -61.355010 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -11.742 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -158.374465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.374465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.374465 (E_RNA) where: Base-Base interactions energy: -96.904 where: short stacking energy: -41.897 Base-Backbone interact. energy: -0.070 local terms energy: -61.401016 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -16.555 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -13.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -78.868286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.868286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.868286 (E_RNA) where: Base-Base interactions energy: -25.809 where: short stacking energy: -25.809 Base-Backbone interact. energy: -0.143 local terms energy: -52.915449 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -16.923 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -1.677 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: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -186.308440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.308440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.308440 (E_RNA) where: Base-Base interactions energy: -124.752 where: short stacking energy: -45.479 Base-Backbone interact. energy: -0.004 local terms energy: -61.552831 where: bonds (distance) C4'-P energy: -16.034 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -12.369 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -12.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -71.983940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.983940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.983940 (E_RNA) where: Base-Base interactions energy: -28.121 where: short stacking energy: -28.121 Base-Backbone interact. energy: -0.062 local terms energy: -43.801144 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -10.507 flat angles C4'-P-C4' energy: -10.024 flat angles P-C4'-P energy: -8.973 tors. eta vs tors. theta energy: -3.522 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: 1, replica: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -221.088813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.088813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.088813 (E_RNA) where: Base-Base interactions energy: -152.018 where: short stacking energy: -64.582 Base-Backbone interact. energy: -0.107 local terms energy: -68.963174 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -15.510 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -20.479 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: 5 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -217.703738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.703738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.703738 (E_RNA) where: Base-Base interactions energy: -146.343 where: short stacking energy: -66.661 Base-Backbone interact. energy: -0.072 local terms energy: -71.289241 where: bonds (distance) C4'-P energy: -14.060 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -19.476 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: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -218.229772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.229772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.229772 (E_RNA) where: Base-Base interactions energy: -143.481 where: short stacking energy: -69.720 Base-Backbone interact. energy: -0.007 local terms energy: -74.742316 where: bonds (distance) C4'-P energy: -14.751 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -11.770 tors. eta vs tors. theta energy: -20.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -209.733064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.733064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.733064 (E_RNA) where: Base-Base interactions energy: -143.551 where: short stacking energy: -63.911 Base-Backbone interact. energy: -0.012 local terms energy: -66.170299 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -12.747 tors. eta vs tors. theta energy: -15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -212.338405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.338405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.338405 (E_RNA) where: Base-Base interactions energy: -135.284 where: short stacking energy: -57.823 Base-Backbone interact. energy: -0.006 local terms energy: -77.048369 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -13.624 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: 6, replica: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -200.420829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.420829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.420829 (E_RNA) where: Base-Base interactions energy: -135.480 where: short stacking energy: -54.248 Base-Backbone interact. energy: -0.651 local terms energy: -64.289827 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -11.254 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -13.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -188.402749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.402749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.402749 (E_RNA) where: Base-Base interactions energy: -133.870 where: short stacking energy: -55.125 Base-Backbone interact. energy: -0.610 local terms energy: -53.923179 where: bonds (distance) C4'-P energy: -8.439 bonds (distance) P-C4' energy: -11.810 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -7.459 tors. eta vs tors. theta energy: -13.371 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: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -160.933105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.933105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.933105 (E_RNA) where: Base-Base interactions energy: -106.383 where: short stacking energy: -45.770 Base-Backbone interact. energy: -0.022 local terms energy: -54.528713 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -10.341 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -8.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -80.675557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.675557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.675557 (E_RNA) where: Base-Base interactions energy: -37.356 where: short stacking energy: -37.356 Base-Backbone interact. energy: -0.386 local terms energy: -42.933734 where: bonds (distance) C4'-P energy: -11.233 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -9.815 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -2.900 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: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -105.708869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.708869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.708869 (E_RNA) where: Base-Base interactions energy: -59.984 where: short stacking energy: -32.952 Base-Backbone interact. energy: -0.117 local terms energy: -45.607174 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -11.597 flat angles C4'-P-C4' energy: -10.064 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -5.594 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: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -222.333523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.333523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.333523 (E_RNA) where: Base-Base interactions energy: -147.751 where: short stacking energy: -64.535 Base-Backbone interact. energy: -0.000 local terms energy: -74.581925 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -15.860 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -18.755 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: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -213.471233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.471233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.471233 (E_RNA) where: Base-Base interactions energy: -141.958 where: short stacking energy: -65.897 Base-Backbone interact. energy: -0.068 local terms energy: -71.444573 where: bonds (distance) C4'-P energy: -10.922 bonds (distance) P-C4' energy: -15.768 flat angles C4'-P-C4' energy: -15.892 flat angles P-C4'-P energy: -10.035 tors. eta vs tors. theta energy: -18.826 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: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -204.983807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.983807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.983807 (E_RNA) where: Base-Base interactions energy: -140.079 where: short stacking energy: -60.134 Base-Backbone interact. energy: -0.615 local terms energy: -64.290073 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -10.103 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -18.070 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: 9 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -213.516661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.516661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.516661 (E_RNA) where: Base-Base interactions energy: -149.821 where: short stacking energy: -62.341 Base-Backbone interact. energy: -0.611 local terms energy: -63.084658 where: bonds (distance) C4'-P energy: -10.112 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -19.747 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: 490 Temperature: 1.100000 Total energy: -205.989341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.989341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.989341 (E_RNA) where: Base-Base interactions energy: -138.833 where: short stacking energy: -58.267 Base-Backbone interact. energy: -0.280 local terms energy: -66.875568 where: bonds (distance) C4'-P energy: -9.134 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -13.776 tors. eta vs tors. theta energy: -18.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -199.555470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.555470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.555470 (E_RNA) where: Base-Base interactions energy: -134.922 where: short stacking energy: -59.276 Base-Backbone interact. energy: 0.434 local terms energy: -65.068218 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -13.692 tors. eta vs tors. theta energy: -12.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -194.285093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.285093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.285093 (E_RNA) where: Base-Base interactions energy: -131.082 where: short stacking energy: -50.150 Base-Backbone interact. energy: 0.237 local terms energy: -63.439521 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -15.788 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -10.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -193.748607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.748607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.748607 (E_RNA) where: Base-Base interactions energy: -135.747 where: short stacking energy: -53.832 Base-Backbone interact. energy: -0.006 local terms energy: -57.995392 where: bonds (distance) C4'-P energy: -11.267 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -17.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -102.921852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.921852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.921852 (E_RNA) where: Base-Base interactions energy: -58.712 where: short stacking energy: -30.853 Base-Backbone interact. energy: -0.086 local terms energy: -44.124223 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -12.555 flat angles C4'-P-C4' energy: -10.310 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -1.961 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: 10, replica: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -65.093609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.093609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.093609 (E_RNA) where: Base-Base interactions energy: -24.867 where: short stacking energy: -24.839 Base-Backbone interact. energy: -0.174 local terms energy: -40.052186 where: bonds (distance) C4'-P energy: -14.731 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -6.235 tors. eta vs tors. theta energy: -0.574 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: 491 Temperature: 0.900000 Total energy: -220.435716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.435716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.435716 (E_RNA) where: Base-Base interactions energy: -146.798 where: short stacking energy: -63.357 Base-Backbone interact. energy: -0.010 local terms energy: -73.627801 where: bonds (distance) C4'-P energy: -15.901 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: -18.284 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: 3 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -216.931728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.931728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.931728 (E_RNA) where: Base-Base interactions energy: -143.619 where: short stacking energy: -62.315 Base-Backbone interact. energy: -0.010 local terms energy: -73.302912 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -18.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -216.011227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.011227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.011227 (E_RNA) where: Base-Base interactions energy: -146.214 where: short stacking energy: -59.103 Base-Backbone interact. energy: -1.494 local terms energy: -68.303586 where: bonds (distance) C4'-P energy: -8.312 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -10.569 tors. eta vs tors. theta energy: -19.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -215.443785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.443785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.443785 (E_RNA) where: Base-Base interactions energy: -144.929 where: short stacking energy: -65.819 Base-Backbone interact. energy: -0.090 local terms energy: -70.424660 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -15.657 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -19.555 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: 491 Temperature: 1.100000 Total energy: -204.878993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.878993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.878993 (E_RNA) where: Base-Base interactions energy: -138.248 where: short stacking energy: -59.489 Base-Backbone interact. energy: -0.767 local terms energy: -65.864483 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -12.215 tors. eta vs tors. theta energy: -13.533 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: 8 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -209.738974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.738974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.738974 (E_RNA) where: Base-Base interactions energy: -150.826 where: short stacking energy: -55.364 Base-Backbone interact. energy: -0.364 local terms energy: -58.549006 where: bonds (distance) C4'-P energy: -10.078 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -13.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -197.210587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.210587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.210587 (E_RNA) where: Base-Base interactions energy: -136.014 where: short stacking energy: -56.834 Base-Backbone interact. energy: -0.109 local terms energy: -61.087952 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -10.619 flat angles C4'-P-C4' energy: -15.242 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -13.925 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: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -193.012173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.012173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.012173 (E_RNA) where: Base-Base interactions energy: -131.487 where: short stacking energy: -54.394 Base-Backbone interact. energy: -0.084 local terms energy: -61.441316 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -9.504 flat angles C4'-P-C4' energy: -9.675 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -17.185 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: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -78.693579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.693579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.693579 (E_RNA) where: Base-Base interactions energy: -42.724 where: short stacking energy: -23.637 Base-Backbone interact. energy: -0.836 local terms energy: -35.133049 where: bonds (distance) C4'-P energy: -7.549 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: 0.722 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: 10, replica: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -68.871996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.871996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.871996 (E_RNA) where: Base-Base interactions energy: -29.074 where: short stacking energy: -27.295 Base-Backbone interact. energy: 0.879 local terms energy: -40.676997 where: bonds (distance) C4'-P energy: -9.075 bonds (distance) P-C4' energy: -10.279 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -219.243474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.243474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.243474 (E_RNA) where: Base-Base interactions energy: -150.506 where: short stacking energy: -66.011 Base-Backbone interact. energy: -0.085 local terms energy: -68.652440 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -10.981 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -9.076 tors. eta vs tors. theta energy: -18.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -208.369091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.369091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.369091 (E_RNA) where: Base-Base interactions energy: -143.369 where: short stacking energy: -62.952 Base-Backbone interact. energy: -0.170 local terms energy: -64.829226 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -11.102 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -17.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -210.474788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.474788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.474788 (E_RNA) where: Base-Base interactions energy: -145.162 where: short stacking energy: -65.777 Base-Backbone interact. energy: -0.153 local terms energy: -65.160681 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.534 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -19.016 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: 492 Temperature: 1.050000 Total energy: -209.037273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.037273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.037273 (E_RNA) where: Base-Base interactions energy: -144.795 where: short stacking energy: -62.037 Base-Backbone interact. energy: 0.040 local terms energy: -64.282515 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -10.811 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -18.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -203.193143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.193143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.193143 (E_RNA) where: Base-Base interactions energy: -143.372 where: short stacking energy: -56.477 Base-Backbone interact. energy: -0.114 local terms energy: -59.707218 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -9.505 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -16.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -191.961791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.961791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.961791 (E_RNA) where: Base-Base interactions energy: -133.026 where: short stacking energy: -53.325 Base-Backbone interact. energy: -0.653 local terms energy: -58.282338 where: bonds (distance) C4'-P energy: -8.777 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -11.716 flat angles P-C4'-P energy: -10.439 tors. eta vs tors. theta energy: -13.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -199.382408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.382408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.382408 (E_RNA) where: Base-Base interactions energy: -135.509 where: short stacking energy: -53.669 Base-Backbone interact. energy: -0.002 local terms energy: -63.871039 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -10.253 tors. eta vs tors. theta energy: -17.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -190.747647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.747647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.747647 (E_RNA) where: Base-Base interactions energy: -133.477 where: short stacking energy: -59.725 Base-Backbone interact. energy: -0.007 local terms energy: -57.263058 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -14.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -84.313116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.313116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.313116 (E_RNA) where: Base-Base interactions energy: -44.694 where: short stacking energy: -31.063 Base-Backbone interact. energy: 0.805 local terms energy: -40.423569 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -5.703 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -5.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -77.885688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.885688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.885688 (E_RNA) where: Base-Base interactions energy: -34.674 where: short stacking energy: -22.413 Base-Backbone interact. energy: -0.229 local terms energy: -42.983088 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -3.924 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: 1, replica: 3 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -222.684852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.684852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.684852 (E_RNA) where: Base-Base interactions energy: -147.018 where: short stacking energy: -67.993 Base-Backbone interact. energy: -0.044 local terms energy: -75.622863 where: bonds (distance) C4'-P energy: -11.515 bonds (distance) P-C4' energy: -13.962 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -14.117 tors. eta vs tors. theta energy: -20.604 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: 2, replica: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -220.836145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.836145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.836145 (E_RNA) where: Base-Base interactions energy: -150.241 where: short stacking energy: -65.471 Base-Backbone interact. energy: -0.830 local terms energy: -69.765627 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -10.222 flat angles C4'-P-C4' energy: -16.290 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -20.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -210.670908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.670908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.670908 (E_RNA) where: Base-Base interactions energy: -142.525 where: short stacking energy: -63.508 Base-Backbone interact. energy: -0.039 local terms energy: -68.106135 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -11.830 tors. eta vs tors. theta energy: -17.286 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: 9 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -208.885727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.885727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.885727 (E_RNA) where: Base-Base interactions energy: -145.292 where: short stacking energy: -67.653 Base-Backbone interact. energy: 1.414 local terms energy: -65.007933 where: bonds (distance) C4'-P energy: -9.588 bonds (distance) P-C4' energy: -10.540 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -9.959 tors. eta vs tors. theta energy: -19.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -208.002941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.002941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.002941 (E_RNA) where: Base-Base interactions energy: -144.328 where: short stacking energy: -69.265 Base-Backbone interact. energy: -0.009 local terms energy: -63.665957 where: bonds (distance) C4'-P energy: -9.001 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -20.394 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: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -200.130256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.130256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.130256 (E_RNA) where: Base-Base interactions energy: -138.100 where: short stacking energy: -57.621 Base-Backbone interact. energy: -0.173 local terms energy: -61.857552 where: bonds (distance) C4'-P energy: -15.153 bonds (distance) P-C4' energy: -10.336 flat angles C4'-P-C4' energy: -13.219 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -16.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -201.370288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.370288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.370288 (E_RNA) where: Base-Base interactions energy: -133.121 where: short stacking energy: -52.555 Base-Backbone interact. energy: -0.074 local terms energy: -68.174592 where: bonds (distance) C4'-P energy: -16.018 bonds (distance) P-C4' energy: -11.347 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -10.777 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: 8, replica: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -203.678866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.678866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.678866 (E_RNA) where: Base-Base interactions energy: -146.483 where: short stacking energy: -61.502 Base-Backbone interact. energy: -0.322 local terms energy: -56.873983 where: bonds (distance) C4'-P energy: -9.878 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -16.252 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: 1 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -69.303510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.303510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.303510 (E_RNA) where: Base-Base interactions energy: -27.182 where: short stacking energy: -23.742 Base-Backbone interact. energy: -0.140 local terms energy: -41.981071 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -1.532 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -70.137080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.137080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.137080 (E_RNA) where: Base-Base interactions energy: -32.327 where: short stacking energy: -30.833 Base-Backbone interact. energy: -0.846 local terms energy: -36.963624 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -14.081 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -221.617722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.617722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.617722 (E_RNA) where: Base-Base interactions energy: -146.181 where: short stacking energy: -61.385 Base-Backbone interact. energy: -0.504 local terms energy: -74.933000 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -12.435 tors. eta vs tors. theta energy: -17.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -220.674411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.674411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.674411 (E_RNA) where: Base-Base interactions energy: -156.227 where: short stacking energy: -67.202 Base-Backbone interact. energy: -0.005 local terms energy: -64.442605 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -13.065 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -18.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -207.007726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.007726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.007726 (E_RNA) where: Base-Base interactions energy: -134.555 where: short stacking energy: -59.640 Base-Backbone interact. energy: 0.233 local terms energy: -72.685828 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -12.986 tors. eta vs tors. theta energy: -20.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -204.391865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.391865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.391865 (E_RNA) where: Base-Base interactions energy: -141.709 where: short stacking energy: -61.550 Base-Backbone interact. energy: -0.139 local terms energy: -62.543286 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -14.545 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -207.652866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.652866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.652866 (E_RNA) where: Base-Base interactions energy: -139.685 where: short stacking energy: -61.998 Base-Backbone interact. energy: -0.009 local terms energy: -67.958971 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -18.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -196.870179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.870179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.870179 (E_RNA) where: Base-Base interactions energy: -129.733 where: short stacking energy: -50.394 Base-Backbone interact. energy: -0.086 local terms energy: -67.051652 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -15.533 flat angles C4'-P-C4' energy: -14.627 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -14.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -209.617162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.617162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.617162 (E_RNA) where: Base-Base interactions energy: -136.388 where: short stacking energy: -59.238 Base-Backbone interact. energy: -0.362 local terms energy: -72.866988 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -14.255 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -20.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -194.363870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.363870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.363870 (E_RNA) where: Base-Base interactions energy: -130.468 where: short stacking energy: -50.285 Base-Backbone interact. energy: -0.032 local terms energy: -63.864500 where: bonds (distance) C4'-P energy: -9.812 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -15.096 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -15.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -95.346678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.346678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.346678 (E_RNA) where: Base-Base interactions energy: -44.920 where: short stacking energy: -29.286 Base-Backbone interact. energy: -0.235 local terms energy: -50.191474 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -12.865 flat angles C4'-P-C4' energy: -16.063 flat angles P-C4'-P energy: -6.836 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: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -76.355377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.355377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.355377 (E_RNA) where: Base-Base interactions energy: -27.616 where: short stacking energy: -21.671 Base-Backbone interact. energy: -0.153 local terms energy: -48.586069 where: bonds (distance) C4'-P energy: -9.426 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: 0.661 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: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -222.871617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.871617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.871617 (E_RNA) where: Base-Base interactions energy: -148.249 where: short stacking energy: -66.293 Base-Backbone interact. energy: -0.070 local terms energy: -74.552952 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -10.219 tors. eta vs tors. theta energy: -19.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -222.918758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.918758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.918758 (E_RNA) where: Base-Base interactions energy: -154.146 where: short stacking energy: -70.097 Base-Backbone interact. energy: -0.000 local terms energy: -68.772865 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -12.318 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -11.906 tors. eta vs tors. theta energy: -19.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -212.248370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.248370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.248370 (E_RNA) where: Base-Base interactions energy: -143.682 where: short stacking energy: -65.512 Base-Backbone interact. energy: -0.724 local terms energy: -67.842165 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -10.148 tors. eta vs tors. theta energy: -19.112 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: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -210.524623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.524623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.524623 (E_RNA) where: Base-Base interactions energy: -140.354 where: short stacking energy: -65.759 Base-Backbone interact. energy: -0.080 local terms energy: -70.090231 where: bonds (distance) C4'-P energy: -10.039 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -11.089 tors. eta vs tors. theta energy: -18.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -212.972252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.972252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.972252 (E_RNA) where: Base-Base interactions energy: -148.152 where: short stacking energy: -63.508 Base-Backbone interact. energy: -0.005 local terms energy: -64.815581 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -9.683 tors. eta vs tors. theta energy: -15.772 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: 495 Temperature: 1.150000 Total energy: -207.427854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.427854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.427854 (E_RNA) where: Base-Base interactions energy: -139.081 where: short stacking energy: -62.906 Base-Backbone interact. energy: -0.590 local terms energy: -67.756514 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -17.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -193.289182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.289182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.289182 (E_RNA) where: Base-Base interactions energy: -130.048 where: short stacking energy: -53.941 Base-Backbone interact. energy: -0.237 local terms energy: -63.003946 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -13.656 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: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -204.358022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.358022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.358022 (E_RNA) where: Base-Base interactions energy: -136.030 where: short stacking energy: -65.020 Base-Backbone interact. energy: 0.661 local terms energy: -68.988755 where: bonds (distance) C4'-P energy: -10.015 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -21.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -74.074417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.074417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.074417 (E_RNA) where: Base-Base interactions energy: -31.896 where: short stacking energy: -31.479 Base-Backbone interact. energy: -0.249 local terms energy: -41.929284 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -7.871 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -5.966 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: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -70.470242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.470242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.470242 (E_RNA) where: Base-Base interactions energy: -18.708 where: short stacking energy: -18.708 Base-Backbone interact. energy: 1.499 local terms energy: -53.261404 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -224.651002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.651002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.651002 (E_RNA) where: Base-Base interactions energy: -153.421 where: short stacking energy: -68.900 Base-Backbone interact. energy: -0.034 local terms energy: -71.196414 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -19.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -218.092820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.092820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.092820 (E_RNA) where: Base-Base interactions energy: -144.538 where: short stacking energy: -59.949 Base-Backbone interact. energy: -0.373 local terms energy: -73.182118 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -15.609 flat angles P-C4'-P energy: -8.626 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: 3, replica: 5 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -216.736612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.736612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.736612 (E_RNA) where: Base-Base interactions energy: -147.819 where: short stacking energy: -60.977 Base-Backbone interact. energy: -0.578 local terms energy: -68.339833 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -10.508 tors. eta vs tors. theta energy: -18.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -212.671760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.671760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.671760 (E_RNA) where: Base-Base interactions energy: -144.060 where: short stacking energy: -60.584 Base-Backbone interact. energy: -0.123 local terms energy: -68.489226 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -15.303 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -16.204 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: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -202.284323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.284323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.284323 (E_RNA) where: Base-Base interactions energy: -136.671 where: short stacking energy: -62.076 Base-Backbone interact. energy: -0.016 local terms energy: -65.597533 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -14.270 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -16.483 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: 496 Temperature: 1.150000 Total energy: -198.671600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.671600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.671600 (E_RNA) where: Base-Base interactions energy: -138.321 where: short stacking energy: -57.443 Base-Backbone interact. energy: -0.022 local terms energy: -60.329448 where: bonds (distance) C4'-P energy: -8.737 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -15.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -194.115268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.115268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.115268 (E_RNA) where: Base-Base interactions energy: -135.381 where: short stacking energy: -54.377 Base-Backbone interact. energy: -0.010 local terms energy: -58.724252 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -12.955 flat angles C4'-P-C4' energy: -11.113 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -16.375 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: 10 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -188.457398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.457398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.457398 (E_RNA) where: Base-Base interactions energy: -127.047 where: short stacking energy: -49.374 Base-Backbone interact. energy: -0.466 local terms energy: -60.944700 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -9.413 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: 9, replica: 4 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -83.953112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.953112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.953112 (E_RNA) where: Base-Base interactions energy: -27.585 where: short stacking energy: -25.045 Base-Backbone interact. energy: -0.020 local terms energy: -56.347735 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -15.436 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -5.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -68.371931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.371931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.371931 (E_RNA) where: Base-Base interactions energy: -21.389 where: short stacking energy: -21.389 Base-Backbone interact. energy: 0.365 local terms energy: -47.348026 where: bonds (distance) C4'-P energy: -11.323 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -10.654 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -224.027445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.027445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.027445 (E_RNA) where: Base-Base interactions energy: -149.699 where: short stacking energy: -68.241 Base-Backbone interact. energy: -0.000 local terms energy: -74.328389 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -10.667 tors. eta vs tors. theta energy: -19.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -221.004640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.004640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.004640 (E_RNA) where: Base-Base interactions energy: -150.919 where: short stacking energy: -67.412 Base-Backbone interact. energy: -0.038 local terms energy: -70.047252 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -20.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -212.614645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.614645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.614645 (E_RNA) where: Base-Base interactions energy: -148.573 where: short stacking energy: -59.443 Base-Backbone interact. energy: -0.037 local terms energy: -64.004676 where: bonds (distance) C4'-P energy: -14.482 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -14.063 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -12.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -212.919304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.919304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.919304 (E_RNA) where: Base-Base interactions energy: -138.547 where: short stacking energy: -64.655 Base-Backbone interact. energy: -1.315 local terms energy: -73.057741 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -19.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -200.380239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.380239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.380239 (E_RNA) where: Base-Base interactions energy: -140.120 where: short stacking energy: -63.725 Base-Backbone interact. energy: -0.476 local terms energy: -59.783705 where: bonds (distance) C4'-P energy: -9.048 bonds (distance) P-C4' energy: -10.486 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -8.331 tors. eta vs tors. theta energy: -18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -206.576773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.576773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.576773 (E_RNA) where: Base-Base interactions energy: -134.733 where: short stacking energy: -54.662 Base-Backbone interact. energy: -1.440 local terms energy: -70.403602 where: bonds (distance) C4'-P energy: -14.556 bonds (distance) P-C4' energy: -11.816 flat angles C4'-P-C4' energy: -15.487 flat angles P-C4'-P energy: -12.355 tors. eta vs tors. theta energy: -16.190 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: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -179.493926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.493926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.493926 (E_RNA) where: Base-Base interactions energy: -127.520 where: short stacking energy: -50.729 Base-Backbone interact. energy: -0.161 local terms energy: -51.812900 where: bonds (distance) C4'-P energy: -8.188 bonds (distance) P-C4' energy: -9.467 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: -8.618 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: 4 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -80.727727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.727727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.727727 (E_RNA) where: Base-Base interactions energy: -29.921 where: short stacking energy: -29.921 Base-Backbone interact. energy: -0.143 local terms energy: -50.663730 where: bonds (distance) C4'-P energy: -9.916 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -10.349 tors. eta vs tors. theta energy: -6.993 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: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -147.008530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.008530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.008530 (E_RNA) where: Base-Base interactions energy: -87.238 where: short stacking energy: -36.030 Base-Backbone interact. energy: -0.056 local terms energy: -59.714440 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -12.208 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -8.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -64.909164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.909164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.909164 (E_RNA) where: Base-Base interactions energy: -27.379 where: short stacking energy: -27.379 Base-Backbone interact. energy: -0.012 local terms energy: -37.517776 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -9.772 flat angles C4'-P-C4' energy: -9.338 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -220.924609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.924609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.924609 (E_RNA) where: Base-Base interactions energy: -149.088 where: short stacking energy: -65.748 Base-Backbone interact. energy: -0.007 local terms energy: -71.830334 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -12.245 tors. eta vs tors. theta energy: -20.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -221.133736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.133736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.133736 (E_RNA) where: Base-Base interactions energy: -148.917 where: short stacking energy: -61.335 Base-Backbone interact. energy: -0.071 local terms energy: -72.145968 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -12.591 tors. eta vs tors. theta energy: -19.027 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: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -215.655531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.655531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.655531 (E_RNA) where: Base-Base interactions energy: -145.192 where: short stacking energy: -63.317 Base-Backbone interact. energy: -0.001 local terms energy: -70.463039 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -12.251 tors. eta vs tors. theta energy: -16.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -214.873112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.873112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.873112 (E_RNA) where: Base-Base interactions energy: -150.596 where: short stacking energy: -62.589 Base-Backbone interact. energy: -0.008 local terms energy: -64.269493 where: bonds (distance) C4'-P energy: -12.700 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -12.449 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -19.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -204.839689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.839689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.839689 (E_RNA) where: Base-Base interactions energy: -136.897 where: short stacking energy: -57.071 Base-Backbone interact. energy: -0.166 local terms energy: -67.776900 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -16.622 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: 3 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -205.908964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.908964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.908964 (E_RNA) where: Base-Base interactions energy: -140.521 where: short stacking energy: -55.376 Base-Backbone interact. energy: -0.049 local terms energy: -65.338848 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -9.763 tors. eta vs tors. theta energy: -15.179 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: 2 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -188.343424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.343424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.343424 (E_RNA) where: Base-Base interactions energy: -134.165 where: short stacking energy: -46.716 Base-Backbone interact. energy: -1.076 local terms energy: -53.102945 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -94.563787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.563787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.563787 (E_RNA) where: Base-Base interactions energy: -36.012 where: short stacking energy: -35.814 Base-Backbone interact. energy: -0.255 local terms energy: -58.296476 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -11.034 flat angles P-C4'-P energy: -12.045 tors. eta vs tors. theta energy: -7.690 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: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -163.382151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.382151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.382151 (E_RNA) where: Base-Base interactions energy: -105.526 where: short stacking energy: -42.574 Base-Backbone interact. energy: 0.815 local terms energy: -58.671822 where: bonds (distance) C4'-P energy: -8.231 bonds (distance) P-C4' energy: -17.365 flat angles C4'-P-C4' energy: -11.541 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -10.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -73.098014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.098014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.098014 (E_RNA) where: Base-Base interactions energy: -27.756 where: short stacking energy: -24.176 Base-Backbone interact. energy: -0.064 local terms energy: -45.278267 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -11.522 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -220.817935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.817935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.817935 (E_RNA) where: Base-Base interactions energy: -152.121 where: short stacking energy: -64.912 Base-Backbone interact. energy: -0.617 local terms energy: -68.080167 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -8.731 tors. eta vs tors. theta energy: -19.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -217.554272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.554272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.554272 (E_RNA) where: Base-Base interactions energy: -147.418 where: short stacking energy: -63.069 Base-Backbone interact. energy: -1.628 local terms energy: -68.508120 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -18.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -211.893450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.893450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.893450 (E_RNA) where: Base-Base interactions energy: -146.422 where: short stacking energy: -61.674 Base-Backbone interact. energy: -0.240 local terms energy: -65.231766 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -14.706 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -16.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -210.496249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.496249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.496249 (E_RNA) where: Base-Base interactions energy: -142.357 where: short stacking energy: -58.915 Base-Backbone interact. energy: -0.273 local terms energy: -67.866552 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -10.108 tors. eta vs tors. theta energy: -17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -208.045903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.045903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.045903 (E_RNA) where: Base-Base interactions energy: -136.955 where: short stacking energy: -64.230 Base-Backbone interact. energy: -0.009 local terms energy: -71.082115 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -14.989 flat angles C4'-P-C4' energy: -14.283 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -19.018 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: 3 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -206.218287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.218287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.218287 (E_RNA) where: Base-Base interactions energy: -140.503 where: short stacking energy: -52.157 Base-Backbone interact. energy: -0.142 local terms energy: -65.573350 where: bonds (distance) C4'-P energy: -12.942 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -15.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -202.053249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.053249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.053249 (E_RNA) where: Base-Base interactions energy: -141.587 where: short stacking energy: -62.585 Base-Backbone interact. energy: -0.000 local terms energy: -60.465511 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -8.269 tors. eta vs tors. theta energy: -17.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -157.618931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.618931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.618931 (E_RNA) where: Base-Base interactions energy: -107.118 where: short stacking energy: -45.237 Base-Backbone interact. energy: -0.222 local terms energy: -50.278651 where: bonds (distance) C4'-P energy: -11.339 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -15.464 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -88.720437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.720437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.720437 (E_RNA) where: Base-Base interactions energy: -31.649 where: short stacking energy: -25.899 Base-Backbone interact. energy: 0.131 local terms energy: -57.202475 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -12.318 flat angles C4'-P-C4' energy: -11.164 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -12.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -72.157584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.157584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.157584 (E_RNA) where: Base-Base interactions energy: -25.145 where: short stacking energy: -17.542 Base-Backbone interact. energy: 0.342 local terms energy: -47.354341 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -10.391 flat angles P-C4'-P energy: -8.361 tors. eta vs tors. theta energy: -3.865 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) out arg RESULTS//1/14019_5-fb8a979c_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -219.405615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.405615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.405615 (E_RNA) where: Base-Base interactions energy: -146.602 where: short stacking energy: -66.532 Base-Backbone interact. energy: -0.054 local terms energy: -72.748911 where: bonds (distance) C4'-P energy: -15.534 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -20.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -222.465092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.465092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.465092 (E_RNA) where: Base-Base interactions energy: -150.745 where: short stacking energy: -69.219 Base-Backbone interact. energy: -0.058 local terms energy: -71.662377 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -15.525 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -18.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -217.781273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.781273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.781273 (E_RNA) where: Base-Base interactions energy: -145.955 where: short stacking energy: -65.503 Base-Backbone interact. energy: -0.589 local terms energy: -71.237042 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -15.060 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -16.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -205.663508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.663508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.663508 (E_RNA) where: Base-Base interactions energy: -138.138 where: short stacking energy: -57.069 Base-Backbone interact. energy: -0.402 local terms energy: -67.123826 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -16.527 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: 5 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -210.039172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.039172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.039172 (E_RNA) where: Base-Base interactions energy: -142.642 where: short stacking energy: -58.261 Base-Backbone interact. energy: -1.307 local terms energy: -66.089529 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -13.330 flat angles P-C4'-P energy: -10.700 tors. eta vs tors. theta energy: -13.564 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: 3 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -205.985125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.985125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.985125 (E_RNA) where: Base-Base interactions energy: -136.928 where: short stacking energy: -54.876 Base-Backbone interact. energy: -0.078 local terms energy: -68.978755 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -19.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -198.479995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.479995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.479995 (E_RNA) where: Base-Base interactions energy: -138.796 where: short stacking energy: -57.244 Base-Backbone interact. energy: -0.264 local terms energy: -59.419461 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -10.453 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -5.283 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: 10 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -143.959475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.959475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.959475 (E_RNA) where: Base-Base interactions energy: -86.966 where: short stacking energy: -43.505 Base-Backbone interact. energy: -0.060 local terms energy: -56.933354 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -7.331 tors. eta vs tors. theta energy: -10.602 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: 1 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -74.426369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.426369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.426369 (E_RNA) where: Base-Base interactions energy: -26.953 where: short stacking energy: -25.135 Base-Backbone interact. energy: -0.109 local terms energy: -47.364157 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -2.854 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: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -92.642742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.642742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.642742 (E_RNA) where: Base-Base interactions energy: -52.189 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.154 local terms energy: -40.299565 where: bonds (distance) C4'-P energy: -7.366 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -2.071 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -219.071573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.071573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.071573 (E_RNA) where: Base-Base interactions energy: -153.387 where: short stacking energy: -63.643 Base-Backbone interact. energy: -0.117 local terms energy: -65.567438 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -15.773 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: 501 Temperature: 0.950000 Total energy: -221.009210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.009210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.009210 (E_RNA) where: Base-Base interactions energy: -150.088 where: short stacking energy: -68.508 Base-Backbone interact. energy: -0.307 local terms energy: -70.614589 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -10.697 tors. eta vs tors. theta energy: -19.628 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: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -216.286205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.286205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.286205 (E_RNA) where: Base-Base interactions energy: -149.247 where: short stacking energy: -69.441 Base-Backbone interact. energy: -0.000 local terms energy: -67.039449 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -11.605 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -18.529 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: 5 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -215.220513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.220513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.220513 (E_RNA) where: Base-Base interactions energy: -149.235 where: short stacking energy: -61.527 Base-Backbone interact. energy: -0.024 local terms energy: -65.960861 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -15.623 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -18.288 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: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -205.955191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.955191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.955191 (E_RNA) where: Base-Base interactions energy: -139.891 where: short stacking energy: -63.512 Base-Backbone interact. energy: -0.094 local terms energy: -65.970612 where: bonds (distance) C4'-P energy: -13.915 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -18.834 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: 2 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -194.829601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.829601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.829601 (E_RNA) where: Base-Base interactions energy: -132.996 where: short stacking energy: -54.751 Base-Backbone interact. energy: -0.127 local terms energy: -61.706873 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -9.138 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -14.752 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: 501 Temperature: 1.200000 Total energy: -196.798654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.798654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.798654 (E_RNA) where: Base-Base interactions energy: -132.022 where: short stacking energy: -61.051 Base-Backbone interact. energy: -0.065 local terms energy: -64.711904 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -9.912 tors. eta vs tors. theta energy: -16.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -158.736124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.736124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.736124 (E_RNA) where: Base-Base interactions energy: -97.617 where: short stacking energy: -35.457 Base-Backbone interact. energy: -0.054 local terms energy: -61.065886 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -10.603 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: 1 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -72.804439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.804439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.804439 (E_RNA) where: Base-Base interactions energy: -21.998 where: short stacking energy: -21.998 Base-Backbone interact. energy: -0.085 local terms energy: -50.721305 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -11.963 tors. eta vs tors. theta energy: -0.378 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: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -81.507371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.507371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.507371 (E_RNA) where: Base-Base interactions energy: -34.064 where: short stacking energy: -34.064 Base-Backbone interact. energy: -0.100 local terms energy: -47.343479 where: bonds (distance) C4'-P energy: -11.766 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -3.853 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) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11121557 moves confirmed later: 12657953 all moves confirmed: 23779510 percent of confirmed moves: 2.972439 current total energy: -177.837058 recalc. total energy: -177.837058 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 14251793 moves confirmed later: 16834355 all moves confirmed: 31086148 percent of confirmed moves: 3.885769 current total energy: -172.874934 recalc. total energy: -172.874934 replica 5 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 11909474 moves confirmed later: 13718726 all moves confirmed: 25628200 percent of confirmed moves: 3.203525 current total energy: -172.879614 recalc. total energy: -172.879614 replica 7 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 12381535 moves confirmed later: 14341217 all moves confirmed: 26722752 percent of confirmed moves: 3.340344 current total energy: -158.598246 recalc. total energy: -158.598246 replica 2 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 11018807 moves confirmed later: 12528384 all moves confirmed: 23547191 percent of confirmed moves: 2.943399 current total energy: -145.500924 recalc. total energy: -145.500924 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 12891526 moves confirmed later: 15070886 all moves confirmed: 27962412 percent of confirmed moves: 3.495302 current total energy: -168.405207 recalc. total energy: -168.405207 replica 3 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 10920096 moves confirmed later: 12390735 all moves confirmed: 23310831 percent of confirmed moves: 2.913854 current total energy: -128.786804 recalc. total energy: -128.786804 replica 10 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 18139413 moves confirmed later: 22126797 all moves confirmed: 40266210 percent of confirmed moves: 5.033276 current total energy: -111.942395 recalc. total energy: -111.942395 replica 4 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 20535886 moves confirmed later: 25358905 all moves confirmed: 45894791 percent of confirmed moves: 5.736849 current total energy: -15.634946 recalc. total energy: -15.634946 replica 1 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 17495142 moves confirmed later: 21279844 all moves confirmed: 38774986 percent of confirmed moves: 4.846873 current total energy: -28.693535 recalc. total energy: -28.693535 Time of doing 8000000 iterations: 1785.722 seconds