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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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_TR-dbbc25f2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/14019_5_TR-dbbc25f2/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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -154.499730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.499730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.499730 (E_RNA) where: Base-Base interactions energy: -95.435 where: short stacking energy: -44.462 Base-Backbone interact. energy: -0.027 local terms energy: -59.038036 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -11.303 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: 3 Temperature: 1.000000 Total energy: -158.958287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.958287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.958287 (E_RNA) where: Base-Base interactions energy: -98.718 where: short stacking energy: -49.640 Base-Backbone interact. energy: -0.663 local terms energy: -59.577024 where: bonds (distance) C4'-P energy: -16.026 bonds (distance) P-C4' energy: -12.840 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -8.185 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: 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: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -163.371772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.371772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.371772 (E_RNA) where: Base-Base interactions energy: -104.129 where: short stacking energy: -49.101 Base-Backbone interact. energy: -0.044 local terms energy: -59.198675 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -9.154 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: 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: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -194.002595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.002595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.002595 (E_RNA) where: Base-Base interactions energy: -136.427 where: short stacking energy: -53.920 Base-Backbone interact. energy: -0.030 local terms energy: -57.545241 where: bonds (distance) C4'-P energy: -11.513 bonds (distance) P-C4' energy: -14.282 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -9.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 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: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -174.827446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.827446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.827446 (E_RNA) where: Base-Base interactions energy: -110.996 where: short stacking energy: -52.799 Base-Backbone interact. energy: -0.036 local terms energy: -63.795478 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -14.967 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -8.337 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: 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: 3 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -210.514909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.514909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.514909 (E_RNA) where: Base-Base interactions energy: -140.594 where: short stacking energy: -59.106 Base-Backbone interact. energy: -0.790 local terms energy: -69.130634 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -9.299 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: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -99.029682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.029682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.029682 (E_RNA) where: Base-Base interactions energy: -43.805 where: short stacking energy: -43.805 Base-Backbone interact. energy: -0.049 local terms energy: -55.176217 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -13.878 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -11.455 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: 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -161.034941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.034941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.034941 (E_RNA) where: Base-Base interactions energy: -102.108 where: short stacking energy: -45.369 Base-Backbone interact. energy: -0.057 local terms energy: -58.869853 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -12.931 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: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -219.078889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.078889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.078889 (E_RNA) where: Base-Base interactions energy: -148.308 where: short stacking energy: -66.625 Base-Backbone interact. energy: -0.604 local terms energy: -70.166813 where: bonds (distance) C4'-P energy: -15.695 bonds (distance) P-C4' energy: -10.802 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -10.519 tors. eta vs tors. theta energy: -18.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -186.247566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.247566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.247566 (E_RNA) where: Base-Base interactions energy: -125.495 where: short stacking energy: -56.666 Base-Backbone interact. energy: -0.031 local terms energy: -60.721364 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -10.829 flat angles P-C4'-P energy: -7.562 tors. eta vs tors. theta energy: -15.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -85.817208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.817208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.817208 (E_RNA) where: Base-Base interactions energy: -39.119 where: short stacking energy: -33.427 Base-Backbone interact. energy: -0.104 local terms energy: -46.595076 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -10.758 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -0.791 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: 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: -221.532816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.532816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.532816 (E_RNA) where: Base-Base interactions energy: -148.603 where: short stacking energy: -66.184 Base-Backbone interact. energy: -0.046 local terms energy: -72.883015 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -13.064 tors. eta vs tors. theta energy: -19.420 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: 7 Temperature: 1.000000 Total energy: -143.152177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.152177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.152177 (E_RNA) where: Base-Base interactions energy: -85.807 where: short stacking energy: -43.964 Base-Backbone interact. energy: -0.330 local terms energy: -57.015140 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -12.161 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: 1 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -187.524847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.524847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.524847 (E_RNA) where: Base-Base interactions energy: -118.217 where: short stacking energy: -55.354 Base-Backbone interact. energy: -0.017 local terms energy: -69.291694 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -9.141 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: 9 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -163.900438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.900438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.900438 (E_RNA) where: Base-Base interactions energy: -105.929 where: short stacking energy: -56.119 Base-Backbone interact. energy: -0.477 local terms energy: -57.494150 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -11.832 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -9.578 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: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -91.658769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.658769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.658769 (E_RNA) where: Base-Base interactions energy: -35.086 where: short stacking energy: -35.086 Base-Backbone interact. energy: -0.073 local terms energy: -56.499818 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -11.044 tors. eta vs tors. theta energy: -7.002 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: 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -86.840049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.840049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.840049 (E_RNA) where: Base-Base interactions energy: -38.433 where: short stacking energy: -35.626 Base-Backbone interact. energy: 0.044 local terms energy: -48.451082 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -4.817 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: 5 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -85.349595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.349595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.349595 (E_RNA) where: Base-Base interactions energy: -33.309 where: short stacking energy: -31.753 Base-Backbone interact. energy: -0.239 local terms energy: -51.802018 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -13.499 flat angles C4'-P-C4' energy: -9.993 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -5.410 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: 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: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -214.233630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.233630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.233630 (E_RNA) where: Base-Base interactions energy: -148.408 where: short stacking energy: -61.808 Base-Backbone interact. energy: -0.922 local terms energy: -64.903702 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -11.327 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: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -207.627406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.627406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.627406 (E_RNA) where: Base-Base interactions energy: -137.644 where: short stacking energy: -66.834 Base-Backbone interact. energy: -0.002 local terms energy: -69.981551 where: bonds (distance) C4'-P energy: -15.872 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -12.426 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -18.009 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: 8 Temperature: 1.000000 Total energy: -195.701654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.701654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.701654 (E_RNA) where: Base-Base interactions energy: -131.822 where: short stacking energy: -64.202 Base-Backbone interact. energy: 0.009 local terms energy: -63.888458 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -10.728 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -15.172 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: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -128.877628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.877628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.877628 (E_RNA) where: Base-Base interactions energy: -71.707 where: short stacking energy: -45.120 Base-Backbone interact. energy: -0.165 local terms energy: -57.005205 where: bonds (distance) C4'-P energy: -10.815 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -9.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -186.880621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.880621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.880621 (E_RNA) where: Base-Base interactions energy: -125.408 where: short stacking energy: -51.468 Base-Backbone interact. energy: -0.343 local terms energy: -61.129545 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -7.746 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: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -97.186393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.186393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.186393 (E_RNA) where: Base-Base interactions energy: -39.872 where: short stacking energy: -37.772 Base-Backbone interact. energy: -0.128 local terms energy: -57.186267 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -9.495 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -12.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -83.975644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.975644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.975644 (E_RNA) where: Base-Base interactions energy: -37.442 where: short stacking energy: -29.435 Base-Backbone interact. energy: -0.234 local terms energy: -46.299490 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -10.549 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 5 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -69.084396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.084396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.084396 (E_RNA) where: Base-Base interactions energy: -24.484 where: short stacking energy: -24.484 Base-Backbone interact. energy: 0.370 local terms energy: -44.970502 where: bonds (distance) C4'-P energy: -10.182 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -222.633024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.633024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.633024 (E_RNA) where: Base-Base interactions energy: -146.928 where: short stacking energy: -66.321 Base-Backbone interact. energy: -0.004 local terms energy: -75.701503 where: bonds (distance) C4'-P energy: -12.631 bonds (distance) P-C4' energy: -16.916 flat angles C4'-P-C4' energy: -16.557 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -21.023 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: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -194.071070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.071070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.071070 (E_RNA) where: Base-Base interactions energy: -128.628 where: short stacking energy: -57.380 Base-Backbone interact. energy: -0.615 local terms energy: -64.828243 where: bonds (distance) C4'-P energy: -14.573 bonds (distance) P-C4' energy: -15.902 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: -12.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -205.195285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.195285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.195285 (E_RNA) where: Base-Base interactions energy: -136.107 where: short stacking energy: -61.348 Base-Backbone interact. energy: -0.001 local terms energy: -69.088129 where: bonds (distance) C4'-P energy: -16.034 bonds (distance) P-C4' energy: -12.083 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -10.206 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: 4, replica: 9 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -198.734659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.734659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.734659 (E_RNA) where: Base-Base interactions energy: -138.461 where: short stacking energy: -55.240 Base-Backbone interact. energy: -0.098 local terms energy: -60.175031 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -6.010 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: 5, replica: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -159.356961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.356961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.356961 (E_RNA) where: Base-Base interactions energy: -99.815 where: short stacking energy: -45.239 Base-Backbone interact. energy: -0.138 local terms energy: -59.404009 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -6.315 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: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -87.946217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.946217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.946217 (E_RNA) where: Base-Base interactions energy: -41.051 where: short stacking energy: -41.051 Base-Backbone interact. energy: -0.031 local terms energy: -46.863902 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -88.206075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.206075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.206075 (E_RNA) where: Base-Base interactions energy: -39.364 where: short stacking energy: -33.662 Base-Backbone interact. energy: -0.118 local terms energy: -48.724487 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -8.786 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: 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: 5 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -74.422607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.422607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.422607 (E_RNA) where: Base-Base interactions energy: -29.681 where: short stacking energy: -29.681 Base-Backbone interact. energy: -0.333 local terms energy: -44.408559 where: bonds (distance) C4'-P energy: -9.932 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -224.270462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.270462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.270462 (E_RNA) where: Base-Base interactions energy: -148.202 where: short stacking energy: -65.681 Base-Backbone interact. energy: -1.560 local terms energy: -74.507621 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -9.499 tors. eta vs tors. theta energy: -21.334 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: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -195.894929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.894929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.894929 (E_RNA) where: Base-Base interactions energy: -133.772 where: short stacking energy: -60.834 Base-Backbone interact. energy: -0.011 local terms energy: -62.112002 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -15.299 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -12.646 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: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -209.478399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.478399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.478399 (E_RNA) where: Base-Base interactions energy: -134.973 where: short stacking energy: -61.049 Base-Backbone interact. energy: -0.614 local terms energy: -73.891676 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -15.592 flat angles P-C4'-P energy: -11.995 tors. eta vs tors. theta energy: -18.217 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: 9 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -206.605228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.605228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.605228 (E_RNA) where: Base-Base interactions energy: -139.578 where: short stacking energy: -67.387 Base-Backbone interact. energy: -0.000 local terms energy: -67.027397 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -15.072 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -17.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -203.947287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.947287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.947287 (E_RNA) where: Base-Base interactions energy: -141.818 where: short stacking energy: -64.956 Base-Backbone interact. energy: -0.014 local terms energy: -62.115436 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -8.973 tors. eta vs tors. theta energy: -15.161 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: 6, replica: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -97.514355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.514355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.514355 (E_RNA) where: Base-Base interactions energy: -44.097 where: short stacking energy: -42.257 Base-Backbone interact. energy: -0.121 local terms energy: -53.296851 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -6.936 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: 10 Temperature: 1.200000 Total energy: -99.453674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.453674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.453674 (E_RNA) where: Base-Base interactions energy: -49.690 where: short stacking energy: -37.528 Base-Backbone interact. energy: -0.102 local terms energy: -49.661993 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -90.787317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.787317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.787317 (E_RNA) where: Base-Base interactions energy: -43.103 where: short stacking energy: -35.471 Base-Backbone interact. energy: -0.011 local terms energy: -47.673201 where: bonds (distance) C4'-P energy: -10.491 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -5.560 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: 5 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -83.542539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.542539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.542539 (E_RNA) where: Base-Base interactions energy: -33.002 where: short stacking energy: -33.002 Base-Backbone interact. energy: -0.012 local terms energy: -50.528951 where: bonds (distance) C4'-P energy: -6.534 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -10.363 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: 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: -219.486516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.486516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.486516 (E_RNA) where: Base-Base interactions energy: -146.663 where: short stacking energy: -60.567 Base-Backbone interact. energy: -0.006 local terms energy: -72.817755 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -14.814 flat angles P-C4'-P energy: -9.789 tors. eta vs tors. theta energy: -18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -211.957705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.957705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.957705 (E_RNA) where: Base-Base interactions energy: -140.882 where: short stacking energy: -68.219 Base-Backbone interact. energy: -0.082 local terms energy: -70.993769 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -20.629 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -192.294225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.294225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.294225 (E_RNA) where: Base-Base interactions energy: -122.778 where: short stacking energy: -54.662 Base-Backbone interact. energy: -0.576 local terms energy: -68.940157 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -11.999 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -10.820 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: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -213.222329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.222329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.222329 (E_RNA) where: Base-Base interactions energy: -141.783 where: short stacking energy: -64.511 Base-Backbone interact. energy: -0.004 local terms energy: -71.434549 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -11.217 tors. eta vs tors. theta energy: -19.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -198.571318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.571318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.571318 (E_RNA) where: Base-Base interactions energy: -130.317 where: short stacking energy: -54.106 Base-Backbone interact. energy: -0.012 local terms energy: -68.242748 where: bonds (distance) C4'-P energy: -14.225 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -9.372 tors. eta vs tors. theta energy: -16.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -90.438460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.438460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.438460 (E_RNA) where: Base-Base interactions energy: -40.058 where: short stacking energy: -33.004 Base-Backbone interact. energy: 0.150 local terms energy: -50.531004 where: bonds (distance) C4'-P energy: -10.334 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -7.775 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -81.700724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.700724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.700724 (E_RNA) where: Base-Base interactions energy: -39.151 where: short stacking energy: -24.517 Base-Backbone interact. energy: -0.111 local terms energy: -42.437947 where: bonds (distance) C4'-P energy: -8.417 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -0.375 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -83.951142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.951142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.951142 (E_RNA) where: Base-Base interactions energy: -32.556 where: short stacking energy: -29.007 Base-Backbone interact. energy: -0.005 local terms energy: -51.389884 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -77.747197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.747197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.747197 (E_RNA) where: Base-Base interactions energy: -28.462 where: short stacking energy: -27.470 Base-Backbone interact. energy: -0.504 local terms energy: -48.781402 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -13.771 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -209.422505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.422505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.422505 (E_RNA) where: Base-Base interactions energy: -142.849 where: short stacking energy: -61.694 Base-Backbone interact. energy: -0.076 local terms energy: -66.497785 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -11.442 flat angles C4'-P-C4' energy: -15.463 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -13.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -208.307474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.307474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.307474 (E_RNA) where: Base-Base interactions energy: -130.922 where: short stacking energy: -61.078 Base-Backbone interact. energy: -0.310 local terms energy: -77.075692 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -20.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -207.537993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.537993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.537993 (E_RNA) where: Base-Base interactions energy: -137.501 where: short stacking energy: -62.417 Base-Backbone interact. energy: 0.121 local terms energy: -70.158543 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -19.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -193.511954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.511954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.511954 (E_RNA) where: Base-Base interactions energy: -128.955 where: short stacking energy: -58.117 Base-Backbone interact. energy: -0.082 local terms energy: -64.475573 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -7.823 tors. eta vs tors. theta energy: -16.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -193.722019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.722019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.722019 (E_RNA) where: Base-Base interactions energy: -126.621 where: short stacking energy: -55.390 Base-Backbone interact. energy: -0.659 local terms energy: -66.441809 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -16.476 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -14.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -105.211104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.211104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.211104 (E_RNA) where: Base-Base interactions energy: -55.307 where: short stacking energy: -36.337 Base-Backbone interact. energy: -0.277 local terms energy: -49.627582 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -10.785 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -5.016 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: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -84.658566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.658566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.658566 (E_RNA) where: Base-Base interactions energy: -35.102 where: short stacking energy: -34.853 Base-Backbone interact. energy: 0.006 local terms energy: -49.562350 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -11.640 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -6.193 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: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -80.690931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.690931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.690931 (E_RNA) where: Base-Base interactions energy: -29.878 where: short stacking energy: -29.878 Base-Backbone interact. energy: -0.107 local terms energy: -50.706680 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -10.050 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -7.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 5 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -74.223589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.223589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.223589 (E_RNA) where: Base-Base interactions energy: -23.981 where: short stacking energy: -23.981 Base-Backbone interact. energy: 0.322 local terms energy: -50.564636 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -11.857 flat angles C4'-P-C4' energy: -12.314 flat angles P-C4'-P energy: -9.568 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: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -223.725157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.725157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.725157 (E_RNA) where: Base-Base interactions energy: -148.031 where: short stacking energy: -65.724 Base-Backbone interact. energy: -0.580 local terms energy: -75.114136 where: bonds (distance) C4'-P energy: -15.669 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -12.250 tors. eta vs tors. theta energy: -20.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -208.080983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.080983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.080983 (E_RNA) where: Base-Base interactions energy: -145.558 where: short stacking energy: -59.562 Base-Backbone interact. energy: -0.022 local terms energy: -62.501219 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -12.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -200.420425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.420425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.420425 (E_RNA) where: Base-Base interactions energy: -128.930 where: short stacking energy: -57.149 Base-Backbone interact. energy: -0.101 local terms energy: -71.389044 where: bonds (distance) C4'-P energy: -15.348 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -9.767 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: 4, replica: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -199.196512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.196512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.196512 (E_RNA) where: Base-Base interactions energy: -135.170 where: short stacking energy: -57.472 Base-Backbone interact. energy: 0.226 local terms energy: -64.252612 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -9.092 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -14.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -191.973121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.973121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.973121 (E_RNA) where: Base-Base interactions energy: -128.462 where: short stacking energy: -60.325 Base-Backbone interact. energy: -0.036 local terms energy: -63.475679 where: bonds (distance) C4'-P energy: -14.913 bonds (distance) P-C4' energy: -10.250 flat angles C4'-P-C4' energy: -10.636 flat angles P-C4'-P energy: -9.876 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: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -97.626918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.626918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.626918 (E_RNA) where: Base-Base interactions energy: -42.123 where: short stacking energy: -36.501 Base-Backbone interact. energy: 0.496 local terms energy: -56.000332 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -11.921 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -9.977 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: 7, replica: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -86.525965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.525965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.525965 (E_RNA) where: Base-Base interactions energy: -40.634 where: short stacking energy: -35.524 Base-Backbone interact. energy: -0.144 local terms energy: -45.747399 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -9.224 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -7.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -83.245826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.245826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.245826 (E_RNA) where: Base-Base interactions energy: -30.113 where: short stacking energy: -30.113 Base-Backbone interact. energy: -0.057 local terms energy: -53.075414 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -10.053 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: -6.717 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: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -78.121157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.121157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.121157 (E_RNA) where: Base-Base interactions energy: -34.186 where: short stacking energy: -34.186 Base-Backbone interact. energy: -0.003 local terms energy: -43.932286 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -10.897 flat angles P-C4'-P energy: -5.839 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -74.813056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.813056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.813056 (E_RNA) where: Base-Base interactions energy: -32.979 where: short stacking energy: -32.979 Base-Backbone interact. energy: -0.419 local terms energy: -41.414177 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -9.649 flat angles C4'-P-C4' energy: -8.505 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -215.483447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.483447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.483447 (E_RNA) where: Base-Base interactions energy: -144.362 where: short stacking energy: -64.814 Base-Backbone interact. energy: -0.211 local terms energy: -70.910333 where: bonds (distance) C4'-P energy: -14.713 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -15.103 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -16.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -219.470792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.470792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.470792 (E_RNA) where: Base-Base interactions energy: -148.615 where: short stacking energy: -64.116 Base-Backbone interact. energy: -0.474 local terms energy: -70.382203 where: bonds (distance) C4'-P energy: -9.937 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -11.183 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: 3, replica: 9 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -195.638750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.638750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.638750 (E_RNA) where: Base-Base interactions energy: -124.434 where: short stacking energy: -55.631 Base-Backbone interact. energy: -0.083 local terms energy: -71.121966 where: bonds (distance) C4'-P energy: -14.391 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -14.760 flat angles P-C4'-P energy: -10.680 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: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -205.061020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.061020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.061020 (E_RNA) where: Base-Base interactions energy: -132.894 where: short stacking energy: -67.316 Base-Backbone interact. energy: -0.098 local terms energy: -72.068913 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -20.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -183.575795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.575795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.575795 (E_RNA) where: Base-Base interactions energy: -118.820 where: short stacking energy: -55.743 Base-Backbone interact. energy: -0.128 local terms energy: -64.627197 where: bonds (distance) C4'-P energy: -15.795 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -13.666 flat angles P-C4'-P energy: -6.513 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: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -96.491080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.491080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.491080 (E_RNA) where: Base-Base interactions energy: -49.203 where: short stacking energy: -44.414 Base-Backbone interact. energy: -0.002 local terms energy: -47.286151 where: bonds (distance) C4'-P energy: -14.358 bonds (distance) P-C4' energy: -8.291 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -9.937 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: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -82.834822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.834822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.834822 (E_RNA) where: Base-Base interactions energy: -36.326 where: short stacking energy: -36.326 Base-Backbone interact. energy: 2.254 local terms energy: -48.763437 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -7.142 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -86.826811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.826811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.826811 (E_RNA) where: Base-Base interactions energy: -32.627 where: short stacking energy: -32.627 Base-Backbone interact. energy: 0.626 local terms energy: -54.825480 where: bonds (distance) C4'-P energy: -15.459 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -105.219038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.219038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.219038 (E_RNA) where: Base-Base interactions energy: -62.971 where: short stacking energy: -26.362 Base-Backbone interact. energy: -0.735 local terms energy: -41.512291 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -9.868 flat angles P-C4'-P energy: -8.921 tors. eta vs tors. theta energy: -4.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -87.373004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.373004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.373004 (E_RNA) where: Base-Base interactions energy: -36.045 where: short stacking energy: -36.045 Base-Backbone interact. energy: -0.001 local terms energy: -51.327530 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -11.821 flat angles C4'-P-C4' energy: -14.210 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -7.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -214.138369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.138369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.138369 (E_RNA) where: Base-Base interactions energy: -141.753 where: short stacking energy: -62.893 Base-Backbone interact. energy: -0.001 local terms energy: -72.384193 where: bonds (distance) C4'-P energy: -15.339 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -10.555 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -19.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -220.359155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.359155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.359155 (E_RNA) where: Base-Base interactions energy: -147.013 where: short stacking energy: -66.470 Base-Backbone interact. energy: -0.001 local terms energy: -73.345579 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -16.063 flat angles P-C4'-P energy: -9.143 tors. eta vs tors. theta energy: -20.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -207.687608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.687608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.687608 (E_RNA) where: Base-Base interactions energy: -138.968 where: short stacking energy: -65.928 Base-Backbone interact. energy: -0.041 local terms energy: -68.677741 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -16.349 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -18.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -196.047023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.047023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.047023 (E_RNA) where: Base-Base interactions energy: -127.477 where: short stacking energy: -56.526 Base-Backbone interact. energy: -0.134 local terms energy: -68.435707 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -11.857 flat angles C4'-P-C4' energy: -15.517 flat angles P-C4'-P energy: -11.665 tors. eta vs tors. theta energy: -13.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -195.889628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.889628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.889628 (E_RNA) where: Base-Base interactions energy: -134.130 where: short stacking energy: -61.768 Base-Backbone interact. energy: 0.196 local terms energy: -61.955538 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -9.013 tors. eta vs tors. theta energy: -16.733 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: 6, replica: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -97.165724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.165724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.165724 (E_RNA) where: Base-Base interactions energy: -40.905 where: short stacking energy: -37.106 Base-Backbone interact. energy: 0.019 local terms energy: -56.279173 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -9.564 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: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -87.738749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.738749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.738749 (E_RNA) where: Base-Base interactions energy: -32.995 where: short stacking energy: -32.995 Base-Backbone interact. energy: 0.399 local terms energy: -55.142286 where: bonds (distance) C4'-P energy: -10.393 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -112.749169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.749169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.749169 (E_RNA) where: Base-Base interactions energy: -65.343 where: short stacking energy: -26.107 Base-Backbone interact. energy: -0.170 local terms energy: -47.235979 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -5.397 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: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -74.808794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.808794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.808794 (E_RNA) where: Base-Base interactions energy: -29.318 where: short stacking energy: -27.477 Base-Backbone interact. energy: 1.039 local terms energy: -46.529542 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -8.986 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -10.695 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -82.965322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.965322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.965322 (E_RNA) where: Base-Base interactions energy: -36.195 where: short stacking energy: -27.108 Base-Backbone interact. energy: 1.710 local terms energy: -48.480560 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -220.282252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.282252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.282252 (E_RNA) where: Base-Base interactions energy: -153.474 where: short stacking energy: -72.383 Base-Backbone interact. energy: -0.616 local terms energy: -66.192608 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -12.126 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: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -218.202416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.202416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.202416 (E_RNA) where: Base-Base interactions energy: -150.725 where: short stacking energy: -69.698 Base-Backbone interact. energy: -0.384 local terms energy: -67.092548 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -15.294 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -9.586 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: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -207.912197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.912197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.912197 (E_RNA) where: Base-Base interactions energy: -136.682 where: short stacking energy: -68.088 Base-Backbone interact. energy: -0.052 local terms energy: -71.178260 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -10.176 tors. eta vs tors. theta energy: -19.328 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: 4, replica: 9 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -203.633396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.633396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.633396 (E_RNA) where: Base-Base interactions energy: -140.309 where: short stacking energy: -66.694 Base-Backbone interact. energy: -0.219 local terms energy: -63.105049 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -15.568 flat angles C4'-P-C4' energy: -10.930 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -20.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -194.891881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.891881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.891881 (E_RNA) where: Base-Base interactions energy: -133.073 where: short stacking energy: -54.177 Base-Backbone interact. energy: -0.225 local terms energy: -61.594659 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -14.883 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -12.531 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: 16 Temperature: 1.150000 Total energy: -84.895580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.895580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.895580 (E_RNA) where: Base-Base interactions energy: -34.382 where: short stacking energy: -34.382 Base-Backbone interact. energy: 0.568 local terms energy: -51.081753 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -5.921 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: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -123.716787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.716787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.716787 (E_RNA) where: Base-Base interactions energy: -71.519 where: short stacking energy: -41.373 Base-Backbone interact. energy: -0.017 local terms energy: -52.181307 where: bonds (distance) C4'-P energy: -10.015 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -10.689 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: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -84.484773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.484773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.484773 (E_RNA) where: Base-Base interactions energy: -28.351 where: short stacking energy: -28.351 Base-Backbone interact. energy: -0.253 local terms energy: -55.880369 where: bonds (distance) C4'-P energy: -13.286 bonds (distance) P-C4' energy: -11.827 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -5.166 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: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -69.754599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.754599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.754599 (E_RNA) where: Base-Base interactions energy: -24.664 where: short stacking energy: -24.664 Base-Backbone interact. energy: -0.068 local terms energy: -45.022539 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: 1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -80.967262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.967262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.967262 (E_RNA) where: Base-Base interactions energy: -37.370 where: short stacking energy: -27.533 Base-Backbone interact. energy: -0.245 local terms energy: -43.352103 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -12.963 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -2.883 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: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -222.853066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.853066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.853066 (E_RNA) where: Base-Base interactions energy: -146.259 where: short stacking energy: -70.180 Base-Backbone interact. energy: -2.764 local terms energy: -73.829892 where: bonds (distance) C4'-P energy: -14.610 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -14.438 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -21.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -207.681199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.681199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.681199 (E_RNA) where: Base-Base interactions energy: -139.520 where: short stacking energy: -61.061 Base-Backbone interact. energy: -0.173 local terms energy: -67.988539 where: bonds (distance) C4'-P energy: -15.935 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -16.239 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: -14.630 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: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -205.343918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.343918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.343918 (E_RNA) where: Base-Base interactions energy: -143.401 where: short stacking energy: -60.646 Base-Backbone interact. energy: 0.266 local terms energy: -62.209108 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -13.715 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: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -196.097677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.097677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.097677 (E_RNA) where: Base-Base interactions energy: -134.693 where: short stacking energy: -57.425 Base-Backbone interact. energy: -0.588 local terms energy: -60.817499 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -9.621 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -10.252 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: 9 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -199.525670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.525670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.525670 (E_RNA) where: Base-Base interactions energy: -131.802 where: short stacking energy: -62.901 Base-Backbone interact. energy: -0.001 local terms energy: -67.722801 where: bonds (distance) C4'-P energy: -13.054 bonds (distance) P-C4' energy: -14.462 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -8.433 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: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -127.495800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.495800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.495800 (E_RNA) where: Base-Base interactions energy: -67.500 where: short stacking energy: -40.410 Base-Backbone interact. energy: -0.020 local terms energy: -59.976298 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -14.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -80.485694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.485694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.485694 (E_RNA) where: Base-Base interactions energy: -30.002 where: short stacking energy: -28.791 Base-Backbone interact. energy: -0.076 local terms energy: -50.406904 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -9.661 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -4.272 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: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -78.647744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.647744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.647744 (E_RNA) where: Base-Base interactions energy: -31.287 where: short stacking energy: -27.057 Base-Backbone interact. energy: -0.938 local terms energy: -46.422796 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: 1.784 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: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -84.211474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.211474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.211474 (E_RNA) where: Base-Base interactions energy: -29.907 where: short stacking energy: -29.907 Base-Backbone interact. energy: -0.060 local terms energy: -54.244815 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -79.234411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.234411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.234411 (E_RNA) where: Base-Base interactions energy: -35.394 where: short stacking energy: -24.510 Base-Backbone interact. energy: -0.391 local terms energy: -43.449507 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -0.705 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: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -210.812854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.812854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.812854 (E_RNA) where: Base-Base interactions energy: -143.230 where: short stacking energy: -66.847 Base-Backbone interact. energy: -0.170 local terms energy: -67.413258 where: bonds (distance) C4'-P energy: -9.899 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -19.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -220.111583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.111583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.111583 (E_RNA) where: Base-Base interactions energy: -147.360 where: short stacking energy: -62.475 Base-Backbone interact. energy: -1.538 local terms energy: -71.213477 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -11.052 tors. eta vs tors. theta energy: -20.783 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: 18 Temperature: 1.000000 Total energy: -201.263445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.263445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.263445 (E_RNA) where: Base-Base interactions energy: -142.839 where: short stacking energy: -57.002 Base-Backbone interact. energy: -0.331 local terms energy: -58.093373 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -10.367 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -11.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -199.733189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.733189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.733189 (E_RNA) where: Base-Base interactions energy: -133.525 where: short stacking energy: -56.995 Base-Backbone interact. energy: -0.057 local terms energy: -66.151718 where: bonds (distance) C4'-P energy: -12.391 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -17.599 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: 18 Temperature: 1.100000 Total energy: -198.386216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.386216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.386216 (E_RNA) where: Base-Base interactions energy: -131.106 where: short stacking energy: -58.935 Base-Backbone interact. energy: -0.152 local terms energy: -67.127484 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -11.280 flat angles C4'-P-C4' energy: -15.082 flat angles P-C4'-P energy: -11.999 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: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -121.551325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.551325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.551325 (E_RNA) where: Base-Base interactions energy: -64.643 where: short stacking energy: -39.951 Base-Backbone interact. energy: -0.270 local terms energy: -56.638504 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -7.435 tors. eta vs tors. theta energy: -8.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -85.682326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.682326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.682326 (E_RNA) where: Base-Base interactions energy: -35.403 where: short stacking energy: -33.699 Base-Backbone interact. energy: 0.721 local terms energy: -50.999468 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -7.040 tors. eta vs tors. theta energy: -6.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -84.341389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.341389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.341389 (E_RNA) where: Base-Base interactions energy: -38.177 where: short stacking energy: -33.450 Base-Backbone interact. energy: -0.031 local terms energy: -46.133751 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -10.943 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -69.559858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.559858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.559858 (E_RNA) where: Base-Base interactions energy: -19.539 where: short stacking energy: -19.573 Base-Backbone interact. energy: -0.057 local terms energy: -49.964205 where: bonds (distance) C4'-P energy: -15.563 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -11.261 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -73.579766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.579766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.579766 (E_RNA) where: Base-Base interactions energy: -21.385 where: short stacking energy: -21.385 Base-Backbone interact. energy: -0.207 local terms energy: -51.987277 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -16.472 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: 0.211 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: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -212.710480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.710480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.710480 (E_RNA) where: Base-Base interactions energy: -138.519 where: short stacking energy: -62.370 Base-Backbone interact. energy: -0.005 local terms energy: -74.187139 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -15.914 flat angles C4'-P-C4' energy: -15.588 flat angles P-C4'-P energy: -9.319 tors. eta vs tors. theta energy: -17.848 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: 2, replica: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -208.556113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.556113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.556113 (E_RNA) where: Base-Base interactions energy: -144.317 where: short stacking energy: -65.380 Base-Backbone interact. energy: -0.010 local terms energy: -64.228512 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -15.712 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -19.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -215.719364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.719364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.719364 (E_RNA) where: Base-Base interactions energy: -147.935 where: short stacking energy: -61.675 Base-Backbone interact. energy: -0.187 local terms energy: -67.597366 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -14.510 flat angles P-C4'-P energy: -9.011 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: 4, replica: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -200.295425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.295425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.295425 (E_RNA) where: Base-Base interactions energy: -131.063 where: short stacking energy: -60.228 Base-Backbone interact. energy: -0.096 local terms energy: -69.136104 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -18.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -199.603620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.603620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.603620 (E_RNA) where: Base-Base interactions energy: -131.983 where: short stacking energy: -60.216 Base-Backbone interact. energy: 0.020 local terms energy: -67.640158 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: -10.076 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: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -131.967567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.967567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.967567 (E_RNA) where: Base-Base interactions energy: -79.239 where: short stacking energy: -44.151 Base-Backbone interact. energy: -0.164 local terms energy: -52.565166 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -9.829 flat angles C4'-P-C4' energy: -16.659 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -10.893 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: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -85.610841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.610841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.610841 (E_RNA) where: Base-Base interactions energy: -40.780 where: short stacking energy: -42.765 Base-Backbone interact. energy: -0.121 local terms energy: -44.708925 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -11.345 flat angles C4'-P-C4' energy: -10.502 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -4.928 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: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -91.887884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.887884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.887884 (E_RNA) where: Base-Base interactions energy: -37.554 where: short stacking energy: -25.090 Base-Backbone interact. energy: -0.507 local terms energy: -53.826875 where: bonds (distance) C4'-P energy: -10.309 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -9.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -68.270806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.270806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.270806 (E_RNA) where: Base-Base interactions energy: -25.134 where: short stacking energy: -17.169 Base-Backbone interact. energy: -0.137 local terms energy: -42.999873 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -11.017 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -0.889 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: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -75.353119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.353119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.353119 (E_RNA) where: Base-Base interactions energy: -23.855 where: short stacking energy: -23.855 Base-Backbone interact. energy: -0.078 local terms energy: -51.420496 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -5.557 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: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -211.155299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.155299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.155299 (E_RNA) where: Base-Base interactions energy: -137.478 where: short stacking energy: -64.926 Base-Backbone interact. energy: -0.152 local terms energy: -73.526057 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -14.915 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -19.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -210.908058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.908058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.908058 (E_RNA) where: Base-Base interactions energy: -147.372 where: short stacking energy: -65.434 Base-Backbone interact. energy: -0.059 local terms energy: -63.476935 where: bonds (distance) C4'-P energy: -13.554 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -11.080 tors. eta vs tors. theta energy: -15.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -201.444611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.444611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.444611 (E_RNA) where: Base-Base interactions energy: -134.504 where: short stacking energy: -60.686 Base-Backbone interact. energy: -0.019 local terms energy: -66.921277 where: bonds (distance) C4'-P energy: -12.209 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -17.510 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: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -213.558603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.558603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.558603 (E_RNA) where: Base-Base interactions energy: -145.644 where: short stacking energy: -64.563 Base-Backbone interact. energy: -0.004 local terms energy: -67.910700 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -15.883 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -20.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -202.237909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.237909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.237909 (E_RNA) where: Base-Base interactions energy: -133.382 where: short stacking energy: -61.835 Base-Backbone interact. energy: -0.030 local terms energy: -68.825821 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -10.136 flat angles C4'-P-C4' energy: -16.349 flat angles P-C4'-P energy: -10.993 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: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -140.776757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.776757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.776757 (E_RNA) where: Base-Base interactions energy: -81.753 where: short stacking energy: -49.474 Base-Backbone interact. energy: -0.357 local terms energy: -58.667085 where: bonds (distance) C4'-P energy: -12.466 bonds (distance) P-C4' energy: -7.543 flat angles C4'-P-C4' energy: -14.840 flat angles P-C4'-P energy: -8.864 tors. eta vs tors. theta energy: -14.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -90.186860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.186860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.186860 (E_RNA) where: Base-Base interactions energy: -38.582 where: short stacking energy: -38.582 Base-Backbone interact. energy: -0.002 local terms energy: -51.602195 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -7.389 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: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -80.918947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.918947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.918947 (E_RNA) where: Base-Base interactions energy: -34.982 where: short stacking energy: -33.946 Base-Backbone interact. energy: -0.018 local terms energy: -45.919106 where: bonds (distance) C4'-P energy: -8.198 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -69.508960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.508960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.508960 (E_RNA) where: Base-Base interactions energy: -25.057 where: short stacking energy: -25.057 Base-Backbone interact. energy: -0.164 local terms energy: -44.287884 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -13.795 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -69.347646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.347646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.347646 (E_RNA) where: Base-Base interactions energy: -33.176 where: short stacking energy: -13.772 Base-Backbone interact. energy: -0.565 local terms energy: -35.607079 where: bonds (distance) C4'-P energy: -11.041 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -11.597 tors. eta vs tors. theta energy: 4.868 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: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -212.229593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.229593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.229593 (E_RNA) where: Base-Base interactions energy: -142.544 where: short stacking energy: -70.031 Base-Backbone interact. energy: -0.013 local terms energy: -69.672440 where: bonds (distance) C4'-P energy: -14.971 bonds (distance) P-C4' energy: -15.236 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -18.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -212.480881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.480881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.480881 (E_RNA) where: Base-Base interactions energy: -140.608 where: short stacking energy: -58.634 Base-Backbone interact. energy: -0.826 local terms energy: -71.047105 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -14.898 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -17.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -207.348124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.348124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.348124 (E_RNA) where: Base-Base interactions energy: -137.935 where: short stacking energy: -58.183 Base-Backbone interact. energy: -0.099 local terms energy: -69.314008 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -17.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -202.239917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.239917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.239917 (E_RNA) where: Base-Base interactions energy: -131.760 where: short stacking energy: -61.492 Base-Backbone interact. energy: -0.001 local terms energy: -70.478605 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -11.278 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -19.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -207.741994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.741994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.741994 (E_RNA) where: Base-Base interactions energy: -145.856 where: short stacking energy: -57.855 Base-Backbone interact. energy: -0.908 local terms energy: -60.977575 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -11.593 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: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -132.163155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.163155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.163155 (E_RNA) where: Base-Base interactions energy: -76.665 where: short stacking energy: -40.545 Base-Backbone interact. energy: -0.153 local terms energy: -55.345735 where: bonds (distance) C4'-P energy: -11.738 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -6.355 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: 8 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -91.784940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.784940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.784940 (E_RNA) where: Base-Base interactions energy: -48.465 where: short stacking energy: -26.370 Base-Backbone interact. energy: -0.373 local terms energy: -42.946944 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -11.383 flat angles C4'-P-C4' energy: -9.914 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -82.498642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.498642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.498642 (E_RNA) where: Base-Base interactions energy: -37.648 where: short stacking energy: -37.648 Base-Backbone interact. energy: -0.083 local terms energy: -44.767468 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -14.322 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -6.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -79.254354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.254354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.254354 (E_RNA) where: Base-Base interactions energy: -28.506 where: short stacking energy: -28.506 Base-Backbone interact. energy: -0.035 local terms energy: -50.713524 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -14.764 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -76.966435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.966435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.966435 (E_RNA) where: Base-Base interactions energy: -28.828 where: short stacking energy: -28.828 Base-Backbone interact. energy: -0.210 local terms energy: -47.928349 where: bonds (distance) C4'-P energy: -10.566 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -12.479 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -5.881 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: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -209.269572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.269572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.269572 (E_RNA) where: Base-Base interactions energy: -135.316 where: short stacking energy: -60.793 Base-Backbone interact. energy: -0.616 local terms energy: -73.337354 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -16.143 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -18.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -208.397235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.397235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.397235 (E_RNA) where: Base-Base interactions energy: -138.334 where: short stacking energy: -60.545 Base-Backbone interact. energy: 0.286 local terms energy: -70.348409 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -10.574 tors. eta vs tors. theta energy: -20.157 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: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -221.669101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.669101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.669101 (E_RNA) where: Base-Base interactions energy: -150.867 where: short stacking energy: -71.040 Base-Backbone interact. energy: -0.993 local terms energy: -69.809246 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -7.403 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -192.983822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.983822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.983822 (E_RNA) where: Base-Base interactions energy: -130.349 where: short stacking energy: -56.268 Base-Backbone interact. energy: -0.268 local terms energy: -62.367416 where: bonds (distance) C4'-P energy: -10.103 bonds (distance) P-C4' energy: -15.180 flat angles C4'-P-C4' energy: -14.497 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: -14.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -216.483808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.483808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.483808 (E_RNA) where: Base-Base interactions energy: -144.869 where: short stacking energy: -67.905 Base-Backbone interact. energy: -0.120 local terms energy: -71.494984 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -10.827 tors. eta vs tors. theta energy: -18.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -121.883843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.883843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.883843 (E_RNA) where: Base-Base interactions energy: -68.797 where: short stacking energy: -33.262 Base-Backbone interact. energy: -0.124 local terms energy: -52.961985 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -7.201 tors. eta vs tors. theta energy: -7.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -76.807566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.807566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.807566 (E_RNA) where: Base-Base interactions energy: -24.279 where: short stacking energy: -21.626 Base-Backbone interact. energy: -0.553 local terms energy: -51.976164 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -13.731 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -85.263761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.263761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.263761 (E_RNA) where: Base-Base interactions energy: -41.926 where: short stacking energy: -24.721 Base-Backbone interact. energy: -0.436 local terms energy: -42.901902 where: bonds (distance) C4'-P energy: -8.550 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -8.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -65.493682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.493682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.493682 (E_RNA) where: Base-Base interactions energy: -26.372 where: short stacking energy: -17.731 Base-Backbone interact. energy: -0.266 local terms energy: -38.856455 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -10.794 flat angles C4'-P-C4' energy: -10.029 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -2.596 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -81.016480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.016480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.016480 (E_RNA) where: Base-Base interactions energy: -42.325 where: short stacking energy: -26.605 Base-Backbone interact. energy: 1.713 local terms energy: -40.404904 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -15.139 flat angles C4'-P-C4' energy: -11.787 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: 0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -208.149678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.149678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.149678 (E_RNA) where: Base-Base interactions energy: -137.902 where: short stacking energy: -62.928 Base-Backbone interact. energy: -0.063 local terms energy: -70.184824 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -8.166 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: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -213.971068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.971068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.971068 (E_RNA) where: Base-Base interactions energy: -143.015 where: short stacking energy: -60.471 Base-Backbone interact. energy: -0.343 local terms energy: -70.613225 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -16.903 flat angles P-C4'-P energy: -10.853 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: 3, replica: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -203.115209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.115209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.115209 (E_RNA) where: Base-Base interactions energy: -133.826 where: short stacking energy: -63.386 Base-Backbone interact. energy: -0.097 local terms energy: -69.192406 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -6.771 tors. eta vs tors. theta energy: -18.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -215.923612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.923612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.923612 (E_RNA) where: Base-Base interactions energy: -146.406 where: short stacking energy: -63.995 Base-Backbone interact. energy: -0.003 local terms energy: -69.514699 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -10.864 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -19.908 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: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -197.138031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.138031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.138031 (E_RNA) where: Base-Base interactions energy: -129.312 where: short stacking energy: -62.118 Base-Backbone interact. energy: -0.528 local terms energy: -67.297412 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -19.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -129.004692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.004692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.004692 (E_RNA) where: Base-Base interactions energy: -70.718 where: short stacking energy: -43.620 Base-Backbone interact. energy: -0.130 local terms energy: -58.157010 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -7.411 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: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -91.020658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.020658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.020658 (E_RNA) where: Base-Base interactions energy: -35.364 where: short stacking energy: -35.364 Base-Backbone interact. energy: -0.111 local terms energy: -55.546084 where: bonds (distance) C4'-P energy: -13.539 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -13.334 tors. eta vs tors. theta energy: -3.154 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: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -85.273358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.273358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.273358 (E_RNA) where: Base-Base interactions energy: -32.525 where: short stacking energy: -32.625 Base-Backbone interact. energy: -0.004 local terms energy: -52.744684 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -11.898 tors. eta vs tors. theta energy: -6.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -96.904333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.904333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.904333 (E_RNA) where: Base-Base interactions energy: -48.145 where: short stacking energy: -23.106 Base-Backbone interact. energy: -0.125 local terms energy: -48.634976 where: bonds (distance) C4'-P energy: -15.464 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -4.538 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: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -86.746733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.746733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.746733 (E_RNA) where: Base-Base interactions energy: -32.827 where: short stacking energy: -32.827 Base-Backbone interact. energy: -0.114 local terms energy: -53.806057 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -11.942 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: 1, replica: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -221.817779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.817779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.817779 (E_RNA) where: Base-Base interactions energy: -153.575 where: short stacking energy: -68.442 Base-Backbone interact. energy: -0.025 local terms energy: -68.217702 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -12.080 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -8.916 tors. eta vs tors. theta energy: -19.213 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: 24 Temperature: 0.950000 Total energy: -206.840223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.840223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.840223 (E_RNA) where: Base-Base interactions energy: -138.711 where: short stacking energy: -67.609 Base-Backbone interact. energy: -0.096 local terms energy: -68.033438 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -15.857 flat angles P-C4'-P energy: -9.236 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: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -215.826407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.826407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.826407 (E_RNA) where: Base-Base interactions energy: -145.426 where: short stacking energy: -65.244 Base-Backbone interact. energy: -0.077 local terms energy: -70.323338 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -10.655 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -20.433 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: 4, replica: 9 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -201.410634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.410634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.410634 (E_RNA) where: Base-Base interactions energy: -133.380 where: short stacking energy: -69.643 Base-Backbone interact. energy: -0.159 local terms energy: -67.872009 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -8.025 tors. eta vs tors. theta energy: -17.317 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: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -195.003777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.003777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.003777 (E_RNA) where: Base-Base interactions energy: -133.505 where: short stacking energy: -65.038 Base-Backbone interact. energy: -0.077 local terms energy: -61.422382 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -11.696 flat angles P-C4'-P energy: -8.848 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: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -129.192141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.192141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.192141 (E_RNA) where: Base-Base interactions energy: -88.515 where: short stacking energy: -34.440 Base-Backbone interact. energy: -0.508 local terms energy: -40.169892 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -9.305 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -4.043 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: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -81.153068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.153068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.153068 (E_RNA) where: Base-Base interactions energy: -34.582 where: short stacking energy: -27.182 Base-Backbone interact. energy: -0.194 local terms energy: -46.377416 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -2.308 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: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -85.349175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.349175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.349175 (E_RNA) where: Base-Base interactions energy: -39.959 where: short stacking energy: -29.128 Base-Backbone interact. energy: -0.138 local terms energy: -45.252872 where: bonds (distance) C4'-P energy: -10.947 bonds (distance) P-C4' energy: -11.020 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -89.881519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.881519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.881519 (E_RNA) where: Base-Base interactions energy: -36.542 where: short stacking energy: -34.828 Base-Backbone interact. energy: -0.202 local terms energy: -53.137275 where: bonds (distance) C4'-P energy: -9.742 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -10.212 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: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -114.044209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.044209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.044209 (E_RNA) where: Base-Base interactions energy: -65.985 where: short stacking energy: -35.143 Base-Backbone interact. energy: -0.164 local terms energy: -47.895725 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -10.502 flat angles C4'-P-C4' energy: -8.845 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -10.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -221.821123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.821123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.821123 (E_RNA) where: Base-Base interactions energy: -151.082 where: short stacking energy: -67.389 Base-Backbone interact. energy: -1.041 local terms energy: -69.698909 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -14.282 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -10.196 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: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -214.679825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.679825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.679825 (E_RNA) where: Base-Base interactions energy: -142.313 where: short stacking energy: -60.851 Base-Backbone interact. energy: -0.017 local terms energy: -72.349589 where: bonds (distance) C4'-P energy: -16.399 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -12.092 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: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -210.146794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.146794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.146794 (E_RNA) where: Base-Base interactions energy: -140.674 where: short stacking energy: -66.199 Base-Backbone interact. energy: -0.279 local terms energy: -69.193176 where: bonds (distance) C4'-P energy: -14.920 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -15.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -202.529668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.529668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.529668 (E_RNA) where: Base-Base interactions energy: -140.629 where: short stacking energy: -64.774 Base-Backbone interact. energy: -0.004 local terms energy: -61.896257 where: bonds (distance) C4'-P energy: -7.641 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -19.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -199.536101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.536101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.536101 (E_RNA) where: Base-Base interactions energy: -134.525 where: short stacking energy: -59.284 Base-Backbone interact. energy: -0.775 local terms energy: -64.236380 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -20.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -135.135309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.135309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.135309 (E_RNA) where: Base-Base interactions energy: -81.098 where: short stacking energy: -46.334 Base-Backbone interact. energy: -0.710 local terms energy: -53.327051 where: bonds (distance) C4'-P energy: -10.820 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -8.575 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: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -99.485014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.485014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.485014 (E_RNA) where: Base-Base interactions energy: -54.000 where: short stacking energy: -31.560 Base-Backbone interact. energy: -0.177 local terms energy: -45.308497 where: bonds (distance) C4'-P energy: -14.068 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -80.602988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.602988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.602988 (E_RNA) where: Base-Base interactions energy: -31.390 where: short stacking energy: -31.390 Base-Backbone interact. energy: 0.083 local terms energy: -49.296067 where: bonds (distance) C4'-P energy: -7.056 bonds (distance) P-C4' energy: -14.711 flat angles C4'-P-C4' energy: -11.386 flat angles P-C4'-P energy: -9.056 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -87.763160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.763160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.763160 (E_RNA) where: Base-Base interactions energy: -35.818 where: short stacking energy: -35.818 Base-Backbone interact. energy: -0.181 local terms energy: -51.764353 where: bonds (distance) C4'-P energy: -9.580 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -8.305 tors. eta vs tors. theta energy: -9.209 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: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -102.842185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.842185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.842185 (E_RNA) where: Base-Base interactions energy: -58.525 where: short stacking energy: -21.014 Base-Backbone interact. energy: -0.618 local terms energy: -43.698777 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: 2.657 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: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -224.203806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.203806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.203806 (E_RNA) where: Base-Base interactions energy: -153.524 where: short stacking energy: -67.401 Base-Backbone interact. energy: -0.082 local terms energy: -70.597845 where: bonds (distance) C4'-P energy: -17.264 bonds (distance) P-C4' energy: -10.938 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -20.299 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: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -216.558437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.558437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.558437 (E_RNA) where: Base-Base interactions energy: -150.259 where: short stacking energy: -64.602 Base-Backbone interact. energy: -0.494 local terms energy: -65.805477 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -11.816 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -20.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -202.643376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.643376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.643376 (E_RNA) where: Base-Base interactions energy: -138.661 where: short stacking energy: -61.949 Base-Backbone interact. energy: -0.191 local terms energy: -63.790981 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -14.898 flat angles C4'-P-C4' energy: -11.205 flat angles P-C4'-P energy: -6.880 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: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -198.052936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.052936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.052936 (E_RNA) where: Base-Base interactions energy: -130.221 where: short stacking energy: -54.948 Base-Backbone interact. energy: -0.066 local terms energy: -67.765581 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -12.006 tors. eta vs tors. theta energy: -13.299 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: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -188.384274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.384274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.384274 (E_RNA) where: Base-Base interactions energy: -127.189 where: short stacking energy: -52.354 Base-Backbone interact. energy: -0.123 local terms energy: -61.072183 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -11.657 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -6.631 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: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -156.808173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.808173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.808173 (E_RNA) where: Base-Base interactions energy: -97.445 where: short stacking energy: -47.794 Base-Backbone interact. energy: -0.059 local terms energy: -59.304091 where: bonds (distance) C4'-P energy: -9.080 bonds (distance) P-C4' energy: -12.437 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -9.341 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: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -84.033506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.033506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.033506 (E_RNA) where: Base-Base interactions energy: -31.929 where: short stacking energy: -31.929 Base-Backbone interact. energy: -0.062 local terms energy: -52.041873 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -107.941113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.941113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.941113 (E_RNA) where: Base-Base interactions energy: -55.313 where: short stacking energy: -44.002 Base-Backbone interact. energy: -0.074 local terms energy: -52.553250 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -11.310 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -9.902 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -79.062523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.062523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.062523 (E_RNA) where: Base-Base interactions energy: -33.366 where: short stacking energy: -15.321 Base-Backbone interact. energy: -0.016 local terms energy: -45.680385 where: bonds (distance) C4'-P energy: -11.170 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -10.010 flat angles P-C4'-P energy: -8.578 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -101.482146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.482146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.482146 (E_RNA) where: Base-Base interactions energy: -57.550 where: short stacking energy: -24.999 Base-Backbone interact. energy: -0.206 local terms energy: -43.725965 where: bonds (distance) C4'-P energy: -9.986 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -1.688 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: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -223.242562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.242562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.242562 (E_RNA) where: Base-Base interactions energy: -155.598 where: short stacking energy: -68.601 Base-Backbone interact. energy: -0.029 local terms energy: -67.614956 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -19.168 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: 27 Temperature: 0.950000 Total energy: -213.593211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.593211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.593211 (E_RNA) where: Base-Base interactions energy: -145.947 where: short stacking energy: -59.567 Base-Backbone interact. energy: -0.004 local terms energy: -67.641906 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -11.077 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -17.562 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: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -205.442882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.442882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.442882 (E_RNA) where: Base-Base interactions energy: -140.795 where: short stacking energy: -64.143 Base-Backbone interact. energy: -0.061 local terms energy: -64.586434 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -10.742 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -11.698 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: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -198.929374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.929374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.929374 (E_RNA) where: Base-Base interactions energy: -132.172 where: short stacking energy: -65.554 Base-Backbone interact. energy: -0.630 local terms energy: -66.127492 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -12.945 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -10.895 tors. eta vs tors. theta energy: -17.435 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: 9 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -202.599319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.599319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.599319 (E_RNA) where: Base-Base interactions energy: -135.256 where: short stacking energy: -62.636 Base-Backbone interact. energy: -0.094 local terms energy: -67.249758 where: bonds (distance) C4'-P energy: -10.955 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -17.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -170.708170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.708170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.708170 (E_RNA) where: Base-Base interactions energy: -112.306 where: short stacking energy: -51.758 Base-Backbone interact. energy: -0.087 local terms energy: -58.315000 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -11.260 tors. eta vs tors. theta energy: -11.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -79.127837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.127837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.127837 (E_RNA) where: Base-Base interactions energy: -32.207 where: short stacking energy: -32.207 Base-Backbone interact. energy: -0.041 local terms energy: -46.879740 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -76.965813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.965813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.965813 (E_RNA) where: Base-Base interactions energy: -36.127 where: short stacking energy: -18.440 Base-Backbone interact. energy: -0.062 local terms energy: -40.776620 where: bonds (distance) C4'-P energy: -8.152 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: 4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -76.951309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.951309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.951309 (E_RNA) where: Base-Base interactions energy: -32.841 where: short stacking energy: -29.031 Base-Backbone interact. energy: -0.105 local terms energy: -44.005238 where: bonds (distance) C4'-P energy: -11.166 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -79.025081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.025081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.025081 (E_RNA) where: Base-Base interactions energy: -26.691 where: short stacking energy: -26.691 Base-Backbone interact. energy: -0.043 local terms energy: -52.291217 where: bonds (distance) C4'-P energy: -10.181 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -209.680492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.680492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.680492 (E_RNA) where: Base-Base interactions energy: -150.382 where: short stacking energy: -63.354 Base-Backbone interact. energy: -0.006 local terms energy: -59.292585 where: bonds (distance) C4'-P energy: -9.030 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -17.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -221.067119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.067119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.067119 (E_RNA) where: Base-Base interactions energy: -147.215 where: short stacking energy: -63.467 Base-Backbone interact. energy: -0.084 local terms energy: -73.768788 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -12.500 tors. eta vs tors. theta energy: -20.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -209.954400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.954400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.954400 (E_RNA) where: Base-Base interactions energy: -139.158 where: short stacking energy: -63.671 Base-Backbone interact. energy: -0.825 local terms energy: -69.971276 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -15.377 flat angles C4'-P-C4' energy: -17.273 flat angles P-C4'-P energy: -8.928 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: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -203.418735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.418735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.418735 (E_RNA) where: Base-Base interactions energy: -132.951 where: short stacking energy: -58.724 Base-Backbone interact. energy: -0.293 local terms energy: -70.174071 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -10.821 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: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -206.034084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.034084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.034084 (E_RNA) where: Base-Base interactions energy: -137.473 where: short stacking energy: -63.998 Base-Backbone interact. energy: -0.045 local terms energy: -68.516733 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -7.009 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: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -160.956440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.956440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.956440 (E_RNA) where: Base-Base interactions energy: -97.333 where: short stacking energy: -42.283 Base-Backbone interact. energy: -0.112 local terms energy: -63.510870 where: bonds (distance) C4'-P energy: -12.351 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -14.759 flat angles P-C4'-P energy: -9.532 tors. eta vs tors. theta energy: -12.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -81.266466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.266466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.266466 (E_RNA) where: Base-Base interactions energy: -32.140 where: short stacking energy: -32.140 Base-Backbone interact. energy: -0.028 local terms energy: -49.098046 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -109.932948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.932948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.932948 (E_RNA) where: Base-Base interactions energy: -62.930 where: short stacking energy: -31.234 Base-Backbone interact. energy: -0.258 local terms energy: -46.745066 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -11.142 flat angles C4'-P-C4' energy: -10.368 flat angles P-C4'-P energy: -11.541 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -78.430035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.430035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.430035 (E_RNA) where: Base-Base interactions energy: -29.489 where: short stacking energy: -24.665 Base-Backbone interact. energy: -0.308 local terms energy: -48.632682 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: 0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -69.525019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.525019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.525019 (E_RNA) where: Base-Base interactions energy: -25.181 where: short stacking energy: -20.857 Base-Backbone interact. energy: -0.169 local terms energy: -44.174318 where: bonds (distance) C4'-P energy: -9.967 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -2.270 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: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -218.294472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.294472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.294472 (E_RNA) where: Base-Base interactions energy: -148.119 where: short stacking energy: -63.957 Base-Backbone interact. energy: 0.210 local terms energy: -70.385343 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -14.996 flat angles P-C4'-P energy: -10.312 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: 2, replica: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -209.914803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.914803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.914803 (E_RNA) where: Base-Base interactions energy: -138.022 where: short stacking energy: -64.533 Base-Backbone interact. energy: -0.537 local terms energy: -71.355689 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -7.529 tors. eta vs tors. theta energy: -18.733 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: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -216.845393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.845393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.845393 (E_RNA) where: Base-Base interactions energy: -152.197 where: short stacking energy: -70.947 Base-Backbone interact. energy: -0.381 local terms energy: -64.267600 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -11.169 flat angles P-C4'-P energy: -9.581 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: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -204.251871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.251871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.251871 (E_RNA) where: Base-Base interactions energy: -137.410 where: short stacking energy: -68.058 Base-Backbone interact. energy: -0.010 local terms energy: -66.831748 where: bonds (distance) C4'-P energy: -10.751 bonds (distance) P-C4' energy: -11.950 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -10.354 tors. eta vs tors. theta energy: -18.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -199.698171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.698171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.698171 (E_RNA) where: Base-Base interactions energy: -132.869 where: short stacking energy: -59.001 Base-Backbone interact. energy: -0.630 local terms energy: -66.199720 where: bonds (distance) C4'-P energy: -10.557 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -10.209 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: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -155.446979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.446979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.446979 (E_RNA) where: Base-Base interactions energy: -98.090 where: short stacking energy: -41.564 Base-Backbone interact. energy: -0.574 local terms energy: -56.783114 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -10.951 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: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -85.372777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.372777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.372777 (E_RNA) where: Base-Base interactions energy: -34.926 where: short stacking energy: -31.006 Base-Backbone interact. energy: -0.162 local terms energy: -50.284596 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -101.976254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.976254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.976254 (E_RNA) where: Base-Base interactions energy: -54.930 where: short stacking energy: -35.165 Base-Backbone interact. energy: -0.254 local terms energy: -46.791786 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -9.990 flat angles P-C4'-P energy: -4.410 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: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -84.354389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.354389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.354389 (E_RNA) where: Base-Base interactions energy: -35.053 where: short stacking energy: -25.417 Base-Backbone interact. energy: -0.725 local terms energy: -48.576040 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -7.482 tors. eta vs tors. theta energy: 0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -85.846030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.846030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.846030 (E_RNA) where: Base-Base interactions energy: -30.126 where: short stacking energy: -30.126 Base-Backbone interact. energy: -0.027 local terms energy: -55.692857 where: bonds (distance) C4'-P energy: -11.390 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -9.454 tors. eta vs tors. theta energy: -6.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -211.372875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.372875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.372875 (E_RNA) where: Base-Base interactions energy: -136.396 where: short stacking energy: -65.214 Base-Backbone interact. energy: 0.648 local terms energy: -75.624867 where: bonds (distance) C4'-P energy: -14.378 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -20.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -215.680145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.680145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.680145 (E_RNA) where: Base-Base interactions energy: -145.064 where: short stacking energy: -61.439 Base-Backbone interact. energy: -0.256 local terms energy: -70.360211 where: bonds (distance) C4'-P energy: -14.477 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -17.664 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: 30 Temperature: 1.000000 Total energy: -204.918763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.918763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.918763 (E_RNA) where: Base-Base interactions energy: -140.723 where: short stacking energy: -65.098 Base-Backbone interact. energy: 0.554 local terms energy: -64.749427 where: bonds (distance) C4'-P energy: -7.768 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -9.408 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: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -211.386529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.386529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.386529 (E_RNA) where: Base-Base interactions energy: -144.522 where: short stacking energy: -61.277 Base-Backbone interact. energy: -0.651 local terms energy: -66.213143 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -15.875 flat angles P-C4'-P energy: -9.503 tors. eta vs tors. theta energy: -18.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -161.691122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.691122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.691122 (E_RNA) where: Base-Base interactions energy: -100.003 where: short stacking energy: -34.982 Base-Backbone interact. energy: 0.095 local terms energy: -61.782230 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -10.872 tors. eta vs tors. theta energy: -8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -198.846965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.846965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.846965 (E_RNA) where: Base-Base interactions energy: -132.520 where: short stacking energy: -55.688 Base-Backbone interact. energy: -0.314 local terms energy: -66.013522 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -15.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -96.172468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.172468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.172468 (E_RNA) where: Base-Base interactions energy: -50.742 where: short stacking energy: -50.742 Base-Backbone interact. energy: -0.000 local terms energy: -45.430418 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -5.587 flat angles C4'-P-C4' energy: -11.357 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -9.427 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: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -75.991990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.991990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.991990 (E_RNA) where: Base-Base interactions energy: -25.503 where: short stacking energy: -24.625 Base-Backbone interact. energy: -0.158 local terms energy: -50.331358 where: bonds (distance) C4'-P energy: -12.896 bonds (distance) P-C4' energy: -11.451 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -79.083008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.083008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.083008 (E_RNA) where: Base-Base interactions energy: -38.570 where: short stacking energy: -21.995 Base-Backbone interact. energy: 0.189 local terms energy: -40.701448 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: 2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -93.661666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.661666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.661666 (E_RNA) where: Base-Base interactions energy: -42.070 where: short stacking energy: -34.503 Base-Backbone interact. energy: -0.048 local terms energy: -51.543614 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -212.682517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.682517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.682517 (E_RNA) where: Base-Base interactions energy: -140.089 where: short stacking energy: -64.020 Base-Backbone interact. energy: 0.345 local terms energy: -72.937954 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -8.492 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: 2, replica: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -224.165087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.165087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.165087 (E_RNA) where: Base-Base interactions energy: -152.002 where: short stacking energy: -71.138 Base-Backbone interact. energy: -0.010 local terms energy: -72.153073 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -12.282 tors. eta vs tors. theta energy: -20.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -202.680260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.680260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.680260 (E_RNA) where: Base-Base interactions energy: -137.859 where: short stacking energy: -66.545 Base-Backbone interact. energy: -0.060 local terms energy: -64.760504 where: bonds (distance) C4'-P energy: -10.863 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -9.142 flat angles P-C4'-P energy: -10.148 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: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -217.247481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.247481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.247481 (E_RNA) where: Base-Base interactions energy: -146.225 where: short stacking energy: -62.426 Base-Backbone interact. energy: -0.102 local terms energy: -70.921188 where: bonds (distance) C4'-P energy: -14.003 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -9.682 tors. eta vs tors. theta energy: -16.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -167.625047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.625047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.625047 (E_RNA) where: Base-Base interactions energy: -105.495 where: short stacking energy: -51.382 Base-Backbone interact. energy: -0.090 local terms energy: -62.040343 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -8.347 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: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -195.462118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.462118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.462118 (E_RNA) where: Base-Base interactions energy: -131.116 where: short stacking energy: -57.310 Base-Backbone interact. energy: 0.159 local terms energy: -64.505436 where: bonds (distance) C4'-P energy: -16.374 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -13.719 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: 31 Temperature: 1.200000 Total energy: -85.880564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.880564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.880564 (E_RNA) where: Base-Base interactions energy: -36.100 where: short stacking energy: -36.100 Base-Backbone interact. energy: -0.076 local terms energy: -49.704622 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -5.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -90.455779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.455779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.455779 (E_RNA) where: Base-Base interactions energy: -42.082 where: short stacking energy: -42.082 Base-Backbone interact. energy: -0.114 local terms energy: -48.259947 where: bonds (distance) C4'-P energy: -11.957 bonds (distance) P-C4' energy: -14.012 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -0.584 tors. eta vs tors. theta energy: -7.651 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: 6 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -80.047739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.047739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.047739 (E_RNA) where: Base-Base interactions energy: -30.206 where: short stacking energy: -30.206 Base-Backbone interact. energy: -0.044 local terms energy: -49.797892 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -10.225 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -5.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -70.772987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.772987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.772987 (E_RNA) where: Base-Base interactions energy: -24.216 where: short stacking energy: -23.811 Base-Backbone interact. energy: -0.053 local terms energy: -46.504776 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -12.330 flat angles C4'-P-C4' energy: -9.735 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -3.345 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: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -215.479856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.479856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.479856 (E_RNA) where: Base-Base interactions energy: -142.358 where: short stacking energy: -66.560 Base-Backbone interact. energy: -0.650 local terms energy: -72.471832 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: -19.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -221.115409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.115409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.115409 (E_RNA) where: Base-Base interactions energy: -150.931 where: short stacking energy: -64.470 Base-Backbone interact. energy: -0.054 local terms energy: -70.129969 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -12.933 tors. eta vs tors. theta energy: -18.647 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: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -216.841788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.841788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.841788 (E_RNA) where: Base-Base interactions energy: -148.041 where: short stacking energy: -61.908 Base-Backbone interact. energy: -0.168 local terms energy: -68.632852 where: bonds (distance) C4'-P energy: -15.405 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -19.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -202.910326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.910326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.910326 (E_RNA) where: Base-Base interactions energy: -133.290 where: short stacking energy: -61.194 Base-Backbone interact. energy: -0.017 local terms energy: -69.603472 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -15.044 flat angles P-C4'-P energy: -11.690 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: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -203.129804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.129804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.129804 (E_RNA) where: Base-Base interactions energy: -129.779 where: short stacking energy: -62.582 Base-Backbone interact. energy: -0.633 local terms energy: -72.718529 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -11.787 tors. eta vs tors. theta energy: -18.954 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: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -164.939497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.939497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.939497 (E_RNA) where: Base-Base interactions energy: -106.544 where: short stacking energy: -42.610 Base-Backbone interact. energy: 0.470 local terms energy: -58.865554 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -7.749 tors. eta vs tors. theta energy: -9.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -78.931234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.931234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.931234 (E_RNA) where: Base-Base interactions energy: -30.494 where: short stacking energy: -27.288 Base-Backbone interact. energy: -0.123 local terms energy: -48.314501 where: bonds (distance) C4'-P energy: -9.269 bonds (distance) P-C4' energy: -13.886 flat angles C4'-P-C4' energy: -10.729 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -5.662 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: 32 Temperature: 1.250000 Total energy: -77.826564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.826564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.826564 (E_RNA) where: Base-Base interactions energy: -38.377 where: short stacking energy: -29.019 Base-Backbone interact. energy: 0.659 local terms energy: -40.107964 where: bonds (distance) C4'-P energy: -8.669 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -9.926 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -1.478 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: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -82.305097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.305097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.305097 (E_RNA) where: Base-Base interactions energy: -27.288 where: short stacking energy: -27.288 Base-Backbone interact. energy: -0.177 local terms energy: -54.840012 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -71.556463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.556463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.556463 (E_RNA) where: Base-Base interactions energy: -29.939 where: short stacking energy: -26.406 Base-Backbone interact. energy: -0.525 local terms energy: -41.092090 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -215.510432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.510432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.510432 (E_RNA) where: Base-Base interactions energy: -151.525 where: short stacking energy: -64.973 Base-Backbone interact. energy: -0.096 local terms energy: -63.889677 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -14.080 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -18.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -219.011759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.011759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.011759 (E_RNA) where: Base-Base interactions energy: -149.793 where: short stacking energy: -67.563 Base-Backbone interact. energy: -1.652 local terms energy: -67.566760 where: bonds (distance) C4'-P energy: -9.203 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -19.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -213.003829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.003829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.003829 (E_RNA) where: Base-Base interactions energy: -143.796 where: short stacking energy: -64.020 Base-Backbone interact. energy: -0.001 local terms energy: -69.207485 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -15.717 flat angles P-C4'-P energy: -9.375 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: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -201.850206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.850206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.850206 (E_RNA) where: Base-Base interactions energy: -138.157 where: short stacking energy: -61.306 Base-Backbone interact. energy: -0.106 local terms energy: -63.586592 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -15.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -200.352253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.352253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.352253 (E_RNA) where: Base-Base interactions energy: -139.286 where: short stacking energy: -61.883 Base-Backbone interact. energy: -0.001 local terms energy: -61.066097 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -16.427 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -16.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -157.787215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.787215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.787215 (E_RNA) where: Base-Base interactions energy: -101.412 where: short stacking energy: -41.145 Base-Backbone interact. energy: -0.082 local terms energy: -56.293314 where: bonds (distance) C4'-P energy: -11.198 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -9.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -86.190726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.190726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.190726 (E_RNA) where: Base-Base interactions energy: -34.940 where: short stacking energy: -16.533 Base-Backbone interact. energy: -0.223 local terms energy: -51.028069 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -12.034 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -6.513 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: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -83.011430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.011430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.011430 (E_RNA) where: Base-Base interactions energy: -32.775 where: short stacking energy: -32.775 Base-Backbone interact. energy: -0.111 local terms energy: -50.125767 where: bonds (distance) C4'-P energy: -10.061 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: -4.806 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: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -92.261978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.261978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.261978 (E_RNA) where: Base-Base interactions energy: -41.850 where: short stacking energy: -28.964 Base-Backbone interact. energy: -0.134 local terms energy: -50.278016 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -10.504 flat angles C4'-P-C4' energy: -9.473 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -8.036 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: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -68.795841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.795841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.795841 (E_RNA) where: Base-Base interactions energy: -22.606 where: short stacking energy: -22.574 Base-Backbone interact. energy: -0.857 local terms energy: -45.332296 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -11.813 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -223.305253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.305253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.305253 (E_RNA) where: Base-Base interactions energy: -149.828 where: short stacking energy: -66.767 Base-Backbone interact. energy: -0.008 local terms energy: -73.469668 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -13.416 tors. eta vs tors. theta energy: -20.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -216.008381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.008381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.008381 (E_RNA) where: Base-Base interactions energy: -144.627 where: short stacking energy: -67.873 Base-Backbone interact. energy: -0.185 local terms energy: -71.195981 where: bonds (distance) C4'-P energy: -14.237 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -10.833 tors. eta vs tors. theta energy: -17.499 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: 34 Temperature: 1.000000 Total energy: -203.139140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.139140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.139140 (E_RNA) where: Base-Base interactions energy: -133.380 where: short stacking energy: -58.988 Base-Backbone interact. energy: -0.829 local terms energy: -68.930585 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -15.373 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: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -214.069073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.069073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.069073 (E_RNA) where: Base-Base interactions energy: -140.773 where: short stacking energy: -60.886 Base-Backbone interact. energy: -0.009 local terms energy: -73.287095 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -14.270 flat angles C4'-P-C4' energy: -15.554 flat angles P-C4'-P energy: -11.664 tors. eta vs tors. theta energy: -16.096 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: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -203.372471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.372471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.372471 (E_RNA) where: Base-Base interactions energy: -135.156 where: short stacking energy: -63.252 Base-Backbone interact. energy: -0.055 local terms energy: -68.161233 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -15.423 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -8.116 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: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -160.885888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.885888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.885888 (E_RNA) where: Base-Base interactions energy: -109.833 where: short stacking energy: -53.026 Base-Backbone interact. energy: -0.596 local terms energy: -50.457208 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -6.915 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -12.562 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: 34 Temperature: 1.200000 Total energy: -82.105132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.105132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.105132 (E_RNA) where: Base-Base interactions energy: -34.309 where: short stacking energy: -34.309 Base-Backbone interact. energy: -0.004 local terms energy: -47.792485 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -9.445 flat angles C4'-P-C4' energy: -9.933 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -80.915677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.915677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.915677 (E_RNA) where: Base-Base interactions energy: -33.771 where: short stacking energy: -34.071 Base-Backbone interact. energy: -0.276 local terms energy: -46.868047 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -75.901151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.901151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.901151 (E_RNA) where: Base-Base interactions energy: -27.877 where: short stacking energy: -22.290 Base-Backbone interact. energy: -0.256 local terms energy: -47.768069 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -15.678 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: 0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -72.500242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.500242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.500242 (E_RNA) where: Base-Base interactions energy: -30.792 where: short stacking energy: -30.792 Base-Backbone interact. energy: -0.267 local terms energy: -41.441054 where: bonds (distance) C4'-P energy: -11.360 bonds (distance) P-C4' energy: -9.489 flat angles C4'-P-C4' energy: -10.177 flat angles P-C4'-P energy: -8.071 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: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -219.638610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.638610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.638610 (E_RNA) where: Base-Base interactions energy: -142.514 where: short stacking energy: -64.418 Base-Backbone interact. energy: -0.400 local terms energy: -76.724835 where: bonds (distance) C4'-P energy: -13.596 bonds (distance) P-C4' energy: -15.536 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -13.760 tors. eta vs tors. theta energy: -19.386 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: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -205.503558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.503558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.503558 (E_RNA) where: Base-Base interactions energy: -139.755 where: short stacking energy: -65.819 Base-Backbone interact. energy: -0.002 local terms energy: -65.747012 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -17.621 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: 9 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -196.365383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.365383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.365383 (E_RNA) where: Base-Base interactions energy: -131.366 where: short stacking energy: -56.190 Base-Backbone interact. energy: -0.470 local terms energy: -64.529691 where: bonds (distance) C4'-P energy: -12.942 bonds (distance) P-C4' energy: -11.241 flat angles C4'-P-C4' energy: -15.696 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -15.084 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: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -205.908027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.908027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.908027 (E_RNA) where: Base-Base interactions energy: -140.755 where: short stacking energy: -60.490 Base-Backbone interact. energy: -0.064 local terms energy: -65.089151 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -10.010 flat angles P-C4'-P energy: -11.827 tors. eta vs tors. theta energy: -15.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -199.131499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.131499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.131499 (E_RNA) where: Base-Base interactions energy: -135.969 where: short stacking energy: -59.522 Base-Backbone interact. energy: -0.058 local terms energy: -63.105112 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -11.948 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -11.788 tors. eta vs tors. theta energy: -14.186 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: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -143.528172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.528172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.528172 (E_RNA) where: Base-Base interactions energy: -96.644 where: short stacking energy: -45.031 Base-Backbone interact. energy: -0.037 local terms energy: -46.846775 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -11.792 flat angles C4'-P-C4' energy: -9.073 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -9.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -79.649359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.649359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.649359 (E_RNA) where: Base-Base interactions energy: -31.668 where: short stacking energy: -31.668 Base-Backbone interact. energy: -0.095 local terms energy: -47.887090 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -8.055 tors. eta vs tors. theta energy: -2.665 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: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -81.019037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.019037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.019037 (E_RNA) where: Base-Base interactions energy: -30.760 where: short stacking energy: -28.991 Base-Backbone interact. energy: -0.095 local terms energy: -50.164429 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -10.005 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -73.974472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.974472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.974472 (E_RNA) where: Base-Base interactions energy: -31.229 where: short stacking energy: -30.948 Base-Backbone interact. energy: -0.108 local terms energy: -42.637278 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -9.647 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -1.413 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: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -106.478767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.478767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.478767 (E_RNA) where: Base-Base interactions energy: -61.022 where: short stacking energy: -32.288 Base-Backbone interact. energy: -0.163 local terms energy: -45.292920 where: bonds (distance) C4'-P energy: -10.481 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -7.750 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: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -221.556591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.556591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.556591 (E_RNA) where: Base-Base interactions energy: -141.775 where: short stacking energy: -70.728 Base-Backbone interact. energy: -0.303 local terms energy: -79.478847 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -17.501 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -20.632 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: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -208.572115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.572115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.572115 (E_RNA) where: Base-Base interactions energy: -139.508 where: short stacking energy: -62.542 Base-Backbone interact. energy: -0.178 local terms energy: -68.886443 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -14.483 flat angles P-C4'-P energy: -8.435 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: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -215.517862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.517862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.517862 (E_RNA) where: Base-Base interactions energy: -144.866 where: short stacking energy: -62.561 Base-Backbone interact. energy: -0.040 local terms energy: -70.612125 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -14.503 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -10.375 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: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -204.602468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.602468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.602468 (E_RNA) where: Base-Base interactions energy: -139.643 where: short stacking energy: -65.746 Base-Backbone interact. energy: -0.000 local terms energy: -64.958802 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -9.887 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -18.836 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: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -203.079461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.079461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.079461 (E_RNA) where: Base-Base interactions energy: -140.139 where: short stacking energy: -61.700 Base-Backbone interact. energy: -0.181 local terms energy: -62.759241 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -14.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -162.545455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.545455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.545455 (E_RNA) where: Base-Base interactions energy: -99.540 where: short stacking energy: -52.904 Base-Backbone interact. energy: -0.062 local terms energy: -62.943631 where: bonds (distance) C4'-P energy: -8.768 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -11.435 tors. eta vs tors. theta energy: -16.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -92.966045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.966045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.966045 (E_RNA) where: Base-Base interactions energy: -33.829 where: short stacking energy: -33.829 Base-Backbone interact. energy: -0.149 local terms energy: -58.987704 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -8.527 tors. eta vs tors. theta energy: -10.759 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: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -84.453989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.453989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.453989 (E_RNA) where: Base-Base interactions energy: -36.979 where: short stacking energy: -36.979 Base-Backbone interact. energy: -0.019 local terms energy: -47.456040 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -8.581 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -118.437645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.437645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.437645 (E_RNA) where: Base-Base interactions energy: -65.484 where: short stacking energy: -35.706 Base-Backbone interact. energy: -0.053 local terms energy: -52.900587 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -6.409 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -83.134551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.134551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.134551 (E_RNA) where: Base-Base interactions energy: -38.185 where: short stacking energy: -38.185 Base-Backbone interact. energy: -0.028 local terms energy: -44.921777 where: bonds (distance) C4'-P energy: -10.101 bonds (distance) P-C4' energy: -11.373 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -4.587 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: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -218.743396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.743396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.743396 (E_RNA) where: Base-Base interactions energy: -145.991 where: short stacking energy: -62.969 Base-Backbone interact. energy: -0.023 local terms energy: -72.729409 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -9.481 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: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -214.518838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.518838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.518838 (E_RNA) where: Base-Base interactions energy: -144.189 where: short stacking energy: -61.607 Base-Backbone interact. energy: -0.867 local terms energy: -69.462341 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -12.036 tors. eta vs tors. theta energy: -14.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -208.458699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.458699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.458699 (E_RNA) where: Base-Base interactions energy: -141.675 where: short stacking energy: -65.043 Base-Backbone interact. energy: 1.404 local terms energy: -68.187783 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -8.797 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -18.719 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: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -196.413093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.413093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.413093 (E_RNA) where: Base-Base interactions energy: -129.390 where: short stacking energy: -63.034 Base-Backbone interact. energy: -0.244 local terms energy: -66.779264 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -13.317 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -8.559 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: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -193.902642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.902642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.902642 (E_RNA) where: Base-Base interactions energy: -130.105 where: short stacking energy: -56.426 Base-Backbone interact. energy: 0.040 local terms energy: -63.837779 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -13.191 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: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -166.503126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.503126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.503126 (E_RNA) where: Base-Base interactions energy: -106.301 where: short stacking energy: -44.558 Base-Backbone interact. energy: -0.385 local terms energy: -59.817092 where: bonds (distance) C4'-P energy: -13.737 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -10.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -89.429930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.429930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.429930 (E_RNA) where: Base-Base interactions energy: -47.010 where: short stacking energy: -33.877 Base-Backbone interact. energy: -0.044 local terms energy: -42.375710 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -6.762 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: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -81.857869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.857869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.857869 (E_RNA) where: Base-Base interactions energy: -32.702 where: short stacking energy: -26.578 Base-Backbone interact. energy: -0.260 local terms energy: -48.895807 where: bonds (distance) C4'-P energy: -10.475 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -75.088723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.088723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.088723 (E_RNA) where: Base-Base interactions energy: -31.358 where: short stacking energy: -27.413 Base-Backbone interact. energy: -0.563 local terms energy: -43.167941 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -13.258 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -1.518 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: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -73.031560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.031560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.031560 (E_RNA) where: Base-Base interactions energy: -36.540 where: short stacking energy: -30.826 Base-Backbone interact. energy: -0.153 local terms energy: -36.338380 where: bonds (distance) C4'-P energy: -9.731 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -1.434 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -222.117452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.117452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.117452 (E_RNA) where: Base-Base interactions energy: -152.322 where: short stacking energy: -68.283 Base-Backbone interact. energy: -0.020 local terms energy: -69.775538 where: bonds (distance) C4'-P energy: -14.983 bonds (distance) P-C4' energy: -14.009 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -17.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -216.556633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.556633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.556633 (E_RNA) where: Base-Base interactions energy: -146.208 where: short stacking energy: -63.822 Base-Backbone interact. energy: -0.015 local terms energy: -70.333363 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -10.233 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: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -204.151505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.151505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.151505 (E_RNA) where: Base-Base interactions energy: -134.255 where: short stacking energy: -63.044 Base-Backbone interact. energy: -0.033 local terms energy: -69.863614 where: bonds (distance) C4'-P energy: -15.526 bonds (distance) P-C4' energy: -14.599 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -6.769 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: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -202.394338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.394338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.394338 (E_RNA) where: Base-Base interactions energy: -134.451 where: short stacking energy: -60.874 Base-Backbone interact. energy: -0.144 local terms energy: -67.799787 where: bonds (distance) C4'-P energy: -14.391 bonds (distance) P-C4' energy: -9.981 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -11.341 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: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -201.799548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.799548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.799548 (E_RNA) where: Base-Base interactions energy: -131.083 where: short stacking energy: -58.955 Base-Backbone interact. energy: -0.013 local terms energy: -70.703875 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -14.745 flat angles P-C4'-P energy: -9.567 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: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -198.209321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.209321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.209321 (E_RNA) where: Base-Base interactions energy: -140.915 where: short stacking energy: -53.375 Base-Backbone interact. energy: -0.180 local terms energy: -57.114406 where: bonds (distance) C4'-P energy: -9.205 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -11.742 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: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -80.438359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.438359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.438359 (E_RNA) where: Base-Base interactions energy: -31.875 where: short stacking energy: -23.828 Base-Backbone interact. energy: -0.215 local terms energy: -48.347974 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -83.982837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.982837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.982837 (E_RNA) where: Base-Base interactions energy: -37.284 where: short stacking energy: -36.608 Base-Backbone interact. energy: -0.130 local terms energy: -46.569135 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -10.910 flat angles C4'-P-C4' energy: -9.510 flat angles P-C4'-P energy: -11.283 tors. eta vs tors. theta energy: -4.234 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: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -74.227892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.227892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.227892 (E_RNA) where: Base-Base interactions energy: -28.125 where: short stacking energy: -25.886 Base-Backbone interact. energy: -0.176 local terms energy: -45.926686 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -77.797694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.797694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.797694 (E_RNA) where: Base-Base interactions energy: -34.355 where: short stacking energy: -34.513 Base-Backbone interact. energy: -0.077 local terms energy: -43.366117 where: bonds (distance) C4'-P energy: -13.361 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -9.454 flat angles P-C4'-P energy: -1.962 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -232.150752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.150752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.150752 (E_RNA) where: Base-Base interactions energy: -152.861 where: short stacking energy: -68.577 Base-Backbone interact. energy: -2.440 local terms energy: -76.850522 where: bonds (distance) C4'-P energy: -14.930 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -12.333 tors. eta vs tors. theta energy: -19.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -216.329814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.329814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.329814 (E_RNA) where: Base-Base interactions energy: -144.830 where: short stacking energy: -62.979 Base-Backbone interact. energy: -0.335 local terms energy: -71.164186 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -15.471 flat angles P-C4'-P energy: -11.107 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: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -219.959105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.959105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.959105 (E_RNA) where: Base-Base interactions energy: -148.678 where: short stacking energy: -65.976 Base-Backbone interact. energy: -0.093 local terms energy: -71.188687 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -12.821 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: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -205.474148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.474148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.474148 (E_RNA) where: Base-Base interactions energy: -133.346 where: short stacking energy: -61.236 Base-Backbone interact. energy: -0.009 local terms energy: -72.118597 where: bonds (distance) C4'-P energy: -14.429 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -15.507 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -16.719 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: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -200.709471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.709471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.709471 (E_RNA) where: Base-Base interactions energy: -128.550 where: short stacking energy: -62.790 Base-Backbone interact. energy: -0.037 local terms energy: -72.122152 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -10.740 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: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -99.666580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.666580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.666580 (E_RNA) where: Base-Base interactions energy: -50.195 where: short stacking energy: -36.022 Base-Backbone interact. energy: -0.186 local terms energy: -49.285122 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -6.235 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: 7, replica: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -190.273163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.273163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.273163 (E_RNA) where: Base-Base interactions energy: -140.900 where: short stacking energy: -58.198 Base-Backbone interact. energy: -0.168 local terms energy: -49.205783 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -10.605 flat angles C4'-P-C4' energy: -10.933 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -9.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -77.100215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.100215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.100215 (E_RNA) where: Base-Base interactions energy: -25.674 where: short stacking energy: -25.674 Base-Backbone interact. energy: -0.042 local terms energy: -51.383953 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -7.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -68.581498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.581498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.581498 (E_RNA) where: Base-Base interactions energy: -22.478 where: short stacking energy: -16.572 Base-Backbone interact. energy: -0.187 local terms energy: -45.916598 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -10.044 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -69.402750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.402750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.402750 (E_RNA) where: Base-Base interactions energy: -22.910 where: short stacking energy: -19.020 Base-Backbone interact. energy: 0.088 local terms energy: -46.580814 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -220.752947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.752947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.752947 (E_RNA) where: Base-Base interactions energy: -151.082 where: short stacking energy: -68.204 Base-Backbone interact. energy: -0.009 local terms energy: -69.661314 where: bonds (distance) C4'-P energy: -13.563 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -11.618 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: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -207.923818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.923818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.923818 (E_RNA) where: Base-Base interactions energy: -138.963 where: short stacking energy: -62.318 Base-Backbone interact. energy: -0.031 local terms energy: -68.929623 where: bonds (distance) C4'-P energy: -14.996 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -15.835 flat angles P-C4'-P energy: -6.653 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: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -221.373575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.373575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.373575 (E_RNA) where: Base-Base interactions energy: -150.005 where: short stacking energy: -70.631 Base-Backbone interact. energy: -2.199 local terms energy: -69.169386 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -11.841 flat angles P-C4'-P energy: -12.636 tors. eta vs tors. theta energy: -20.907 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: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -194.517776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.517776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.517776 (E_RNA) where: Base-Base interactions energy: -133.522 where: short stacking energy: -58.232 Base-Backbone interact. energy: -0.024 local terms energy: -60.971695 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -16.034 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -13.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -199.584552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.584552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.584552 (E_RNA) where: Base-Base interactions energy: -133.301 where: short stacking energy: -60.897 Base-Backbone interact. energy: -0.233 local terms energy: -66.050938 where: bonds (distance) C4'-P energy: -15.278 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -13.274 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: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -101.890770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.890770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.890770 (E_RNA) where: Base-Base interactions energy: -42.480 where: short stacking energy: -42.480 Base-Backbone interact. energy: -0.138 local terms energy: -59.272142 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -14.259 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: -8.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -199.184638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.184638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.184638 (E_RNA) where: Base-Base interactions energy: -133.021 where: short stacking energy: -60.414 Base-Backbone interact. energy: -0.085 local terms energy: -66.078662 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -10.556 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: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -69.629376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.629376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.629376 (E_RNA) where: Base-Base interactions energy: -26.271 where: short stacking energy: -26.271 Base-Backbone interact. energy: -0.040 local terms energy: -43.317734 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -10.801 flat angles C4'-P-C4' energy: -9.912 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -2.330 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: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -87.837354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.837354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.837354 (E_RNA) where: Base-Base interactions energy: -40.212 where: short stacking energy: -40.212 Base-Backbone interact. energy: -0.029 local terms energy: -47.595684 where: bonds (distance) C4'-P energy: -6.167 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -11.452 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -11.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -146.786849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.786849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.786849 (E_RNA) where: Base-Base interactions energy: -96.714 where: short stacking energy: -36.394 Base-Backbone interact. energy: -0.237 local terms energy: -49.835730 where: bonds (distance) C4'-P energy: -8.595 bonds (distance) P-C4' energy: -9.301 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -12.484 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: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -223.677491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.677491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.677491 (E_RNA) where: Base-Base interactions energy: -148.771 where: short stacking energy: -65.926 Base-Backbone interact. energy: -0.337 local terms energy: -74.569537 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -15.541 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -19.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -221.431467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.431467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.431467 (E_RNA) where: Base-Base interactions energy: -150.822 where: short stacking energy: -67.078 Base-Backbone interact. energy: -0.176 local terms energy: -70.433611 where: bonds (distance) C4'-P energy: -13.692 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -10.860 flat angles P-C4'-P energy: -12.627 tors. eta vs tors. theta energy: -19.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -205.434478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.434478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.434478 (E_RNA) where: Base-Base interactions energy: -138.453 where: short stacking energy: -65.519 Base-Backbone interact. energy: -0.293 local terms energy: -66.688589 where: bonds (distance) C4'-P energy: -12.296 bonds (distance) P-C4' energy: -14.840 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -8.150 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: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -196.375867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.375867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.375867 (E_RNA) where: Base-Base interactions energy: -133.117 where: short stacking energy: -61.160 Base-Backbone interact. energy: -0.512 local terms energy: -62.746911 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -13.105 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -11.889 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: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -186.747538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.747538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.747538 (E_RNA) where: Base-Base interactions energy: -125.180 where: short stacking energy: -61.123 Base-Backbone interact. energy: -0.060 local terms energy: -61.506908 where: bonds (distance) C4'-P energy: -16.133 bonds (distance) P-C4' energy: -10.581 flat angles C4'-P-C4' energy: -13.661 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -14.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -202.020176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.020176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.020176 (E_RNA) where: Base-Base interactions energy: -140.764 where: short stacking energy: -60.751 Base-Backbone interact. energy: -0.031 local terms energy: -61.224880 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -16.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -79.230672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.230672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.230672 (E_RNA) where: Base-Base interactions energy: -33.441 where: short stacking energy: -30.853 Base-Backbone interact. energy: 0.327 local terms energy: -46.116748 where: bonds (distance) C4'-P energy: -10.939 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -12.484 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -0.177 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: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -81.505078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.505078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.505078 (E_RNA) where: Base-Base interactions energy: -31.543 where: short stacking energy: -24.065 Base-Backbone interact. energy: 1.167 local terms energy: -51.130061 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -13.317 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -9.026 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: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -80.450420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.450420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.450420 (E_RNA) where: Base-Base interactions energy: -31.868 where: short stacking energy: -19.170 Base-Backbone interact. energy: 0.303 local terms energy: -48.885376 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -14.346 flat angles C4'-P-C4' energy: -10.103 flat angles P-C4'-P energy: -9.173 tors. eta vs tors. theta energy: -2.570 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: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -147.067864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.067864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.067864 (E_RNA) where: Base-Base interactions energy: -91.166 where: short stacking energy: -41.744 Base-Backbone interact. energy: -0.724 local terms energy: -55.177847 where: bonds (distance) C4'-P energy: -14.949 bonds (distance) P-C4' energy: -9.363 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -11.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -219.910833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.910833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.910833 (E_RNA) where: Base-Base interactions energy: -148.672 where: short stacking energy: -65.191 Base-Backbone interact. energy: -0.004 local terms energy: -71.234641 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -15.460 flat angles P-C4'-P energy: -10.149 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: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -211.681565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.681565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.681565 (E_RNA) where: Base-Base interactions energy: -144.280 where: short stacking energy: -66.102 Base-Backbone interact. energy: -0.009 local terms energy: -67.391882 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -12.040 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -9.996 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: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -208.614250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.614250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.614250 (E_RNA) where: Base-Base interactions energy: -136.023 where: short stacking energy: -65.444 Base-Backbone interact. energy: -0.574 local terms energy: -72.017225 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -12.308 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: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -208.047549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.047549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.047549 (E_RNA) where: Base-Base interactions energy: -137.184 where: short stacking energy: -58.230 Base-Backbone interact. energy: -0.013 local terms energy: -70.850442 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -13.953 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -16.178 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: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -208.978524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.978524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.978524 (E_RNA) where: Base-Base interactions energy: -140.181 where: short stacking energy: -60.635 Base-Backbone interact. energy: -0.003 local terms energy: -68.794836 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -18.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -183.585685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.585685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.585685 (E_RNA) where: Base-Base interactions energy: -118.179 where: short stacking energy: -49.728 Base-Backbone interact. energy: -0.253 local terms energy: -65.153757 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -14.252 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -12.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -93.897341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.897341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.897341 (E_RNA) where: Base-Base interactions energy: -38.096 where: short stacking energy: -37.539 Base-Backbone interact. energy: -1.417 local terms energy: -54.383619 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -9.554 tors. eta vs tors. theta energy: -7.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -82.167478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.167478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.167478 (E_RNA) where: Base-Base interactions energy: -38.361 where: short stacking energy: -38.361 Base-Backbone interact. energy: -0.108 local terms energy: -43.698944 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -128.552084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.552084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.552084 (E_RNA) where: Base-Base interactions energy: -75.118 where: short stacking energy: -31.776 Base-Backbone interact. energy: -0.072 local terms energy: -53.362940 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -16.226 flat angles C4'-P-C4' energy: -10.100 flat angles P-C4'-P energy: -8.435 tors. eta vs tors. theta energy: -4.248 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: 42 Temperature: 1.350000 Total energy: -75.485327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.485327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.485327 (E_RNA) where: Base-Base interactions energy: -27.597 where: short stacking energy: -30.481 Base-Backbone interact. energy: 2.592 local terms energy: -50.480574 where: bonds (distance) C4'-P energy: -9.819 bonds (distance) P-C4' energy: -14.738 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -7.826 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: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -228.281848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.281848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.281848 (E_RNA) where: Base-Base interactions energy: -153.174 where: short stacking energy: -69.170 Base-Backbone interact. energy: -0.060 local terms energy: -75.048094 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -14.324 flat angles P-C4'-P energy: -11.685 tors. eta vs tors. theta energy: -20.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -207.834295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.834295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.834295 (E_RNA) where: Base-Base interactions energy: -137.896 where: short stacking energy: -64.945 Base-Backbone interact. energy: -0.633 local terms energy: -69.305097 where: bonds (distance) C4'-P energy: -12.613 bonds (distance) P-C4' energy: -14.724 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -7.612 tors. eta vs tors. theta energy: -19.864 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: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -208.392878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.392878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.392878 (E_RNA) where: Base-Base interactions energy: -139.215 where: short stacking energy: -62.611 Base-Backbone interact. energy: -0.049 local terms energy: -69.128727 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -18.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -205.187172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.187172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.187172 (E_RNA) where: Base-Base interactions energy: -145.218 where: short stacking energy: -60.276 Base-Backbone interact. energy: -0.114 local terms energy: -59.854638 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -8.342 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -11.791 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: 5, replica: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -192.464241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.464241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.464241 (E_RNA) where: Base-Base interactions energy: -128.122 where: short stacking energy: -57.601 Base-Backbone interact. energy: -0.004 local terms energy: -64.338011 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -14.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -195.390979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.390979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.390979 (E_RNA) where: Base-Base interactions energy: -132.569 where: short stacking energy: -53.927 Base-Backbone interact. energy: -0.002 local terms energy: -62.819954 where: bonds (distance) C4'-P energy: -9.894 bonds (distance) P-C4' energy: -11.583 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -9.292 tors. eta vs tors. theta energy: -17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -92.934432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.934432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.934432 (E_RNA) where: Base-Base interactions energy: -41.595 where: short stacking energy: -31.441 Base-Backbone interact. energy: -0.388 local terms energy: -50.951603 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -107.222790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.222790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.222790 (E_RNA) where: Base-Base interactions energy: -57.665 where: short stacking energy: -33.168 Base-Backbone interact. energy: 0.549 local terms energy: -50.106638 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -8.988 flat angles P-C4'-P energy: -9.058 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -73.570026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.570026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.570026 (E_RNA) where: Base-Base interactions energy: -37.971 where: short stacking energy: -21.345 Base-Backbone interact. energy: -0.094 local terms energy: -35.505519 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -11.189 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: 2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -73.890218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.890218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.890218 (E_RNA) where: Base-Base interactions energy: -27.114 where: short stacking energy: -21.069 Base-Backbone interact. energy: 0.562 local terms energy: -47.338011 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -220.972496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.972496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.972496 (E_RNA) where: Base-Base interactions energy: -150.482 where: short stacking energy: -68.676 Base-Backbone interact. energy: -0.011 local terms energy: -70.479426 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -14.743 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -17.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -207.612380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.612380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.612380 (E_RNA) where: Base-Base interactions energy: -135.915 where: short stacking energy: -62.214 Base-Backbone interact. energy: -0.676 local terms energy: -71.021311 where: bonds (distance) C4'-P energy: -16.490 bonds (distance) P-C4' energy: -11.167 flat angles C4'-P-C4' energy: -15.153 flat angles P-C4'-P energy: -8.249 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: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -209.981706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.981706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.981706 (E_RNA) where: Base-Base interactions energy: -142.962 where: short stacking energy: -58.278 Base-Backbone interact. energy: -0.033 local terms energy: -66.986852 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -17.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -212.279313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.279313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.279313 (E_RNA) where: Base-Base interactions energy: -142.872 where: short stacking energy: -64.017 Base-Backbone interact. energy: -0.025 local terms energy: -69.382041 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -17.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -200.998515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.998515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.998515 (E_RNA) where: Base-Base interactions energy: -133.070 where: short stacking energy: -63.962 Base-Backbone interact. energy: -0.654 local terms energy: -67.274030 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -14.371 flat angles P-C4'-P energy: -7.374 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: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -181.907693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.907693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.907693 (E_RNA) where: Base-Base interactions energy: -123.630 where: short stacking energy: -54.904 Base-Backbone interact. energy: 0.584 local terms energy: -58.861651 where: bonds (distance) C4'-P energy: -10.069 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -16.273 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: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -105.532347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.532347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.532347 (E_RNA) where: Base-Base interactions energy: -45.942 where: short stacking energy: -43.484 Base-Backbone interact. energy: -0.048 local terms energy: -59.542286 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -9.197 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -12.656 tors. eta vs tors. theta energy: -10.798 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: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -91.239830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.239830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.239830 (E_RNA) where: Base-Base interactions energy: -37.724 where: short stacking energy: -30.723 Base-Backbone interact. energy: -0.162 local terms energy: -53.353722 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -3.189 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: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -78.100542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.100542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.100542 (E_RNA) where: Base-Base interactions energy: -30.933 where: short stacking energy: -24.459 Base-Backbone interact. energy: -0.147 local terms energy: -47.021146 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -7.152 tors. eta vs tors. theta energy: -2.075 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: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -75.371205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.371205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.371205 (E_RNA) where: Base-Base interactions energy: -37.045 where: short stacking energy: -26.276 Base-Backbone interact. energy: -0.242 local terms energy: -38.084928 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -10.093 flat angles C4'-P-C4' energy: -12.459 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: 0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -219.542797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.542797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.542797 (E_RNA) where: Base-Base interactions energy: -150.252 where: short stacking energy: -67.553 Base-Backbone interact. energy: -0.026 local terms energy: -69.265253 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -13.141 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: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -214.238128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.238128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.238128 (E_RNA) where: Base-Base interactions energy: -148.134 where: short stacking energy: -65.685 Base-Backbone interact. energy: -0.001 local terms energy: -66.102559 where: bonds (distance) C4'-P energy: -11.956 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -18.465 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: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -204.884813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.884813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.884813 (E_RNA) where: Base-Base interactions energy: -141.010 where: short stacking energy: -66.699 Base-Backbone interact. energy: -0.293 local terms energy: -63.582014 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -10.659 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: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -201.279808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.279808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.279808 (E_RNA) where: Base-Base interactions energy: -129.775 where: short stacking energy: -58.878 Base-Backbone interact. energy: -0.346 local terms energy: -71.159250 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -15.694 flat angles P-C4'-P energy: -10.728 tors. eta vs tors. theta energy: -16.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -204.962674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.962674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.962674 (E_RNA) where: Base-Base interactions energy: -139.525 where: short stacking energy: -61.410 Base-Backbone interact. energy: -0.303 local terms energy: -65.134971 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -15.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -193.757003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.757003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.757003 (E_RNA) where: Base-Base interactions energy: -130.642 where: short stacking energy: -61.435 Base-Backbone interact. energy: -0.216 local terms energy: -62.899350 where: bonds (distance) C4'-P energy: -11.604 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -14.003 flat angles P-C4'-P energy: -8.144 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: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -94.878099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.878099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.878099 (E_RNA) where: Base-Base interactions energy: -42.919 where: short stacking energy: -36.219 Base-Backbone interact. energy: -0.194 local terms energy: -51.765608 where: bonds (distance) C4'-P energy: -13.351 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -12.090 flat angles P-C4'-P energy: -8.240 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: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -84.006157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.006157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.006157 (E_RNA) where: Base-Base interactions energy: -35.359 where: short stacking energy: -32.345 Base-Backbone interact. energy: 0.363 local terms energy: -49.010316 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -5.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -85.082071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.082071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.082071 (E_RNA) where: Base-Base interactions energy: -31.212 where: short stacking energy: -28.358 Base-Backbone interact. energy: -0.170 local terms energy: -53.699749 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -6.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -79.461890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.461890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.461890 (E_RNA) where: Base-Base interactions energy: -36.138 where: short stacking energy: -34.306 Base-Backbone interact. energy: 0.828 local terms energy: -44.151831 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -216.547304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.547304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.547304 (E_RNA) where: Base-Base interactions energy: -151.266 where: short stacking energy: -66.136 Base-Backbone interact. energy: -0.096 local terms energy: -65.184820 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -11.244 flat angles P-C4'-P energy: -9.435 tors. eta vs tors. theta energy: -16.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -219.029121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.029121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.029121 (E_RNA) where: Base-Base interactions energy: -149.423 where: short stacking energy: -66.333 Base-Backbone interact. energy: -1.871 local terms energy: -67.734828 where: bonds (distance) C4'-P energy: -15.546 bonds (distance) P-C4' energy: -10.399 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -19.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -207.252880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.252880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.252880 (E_RNA) where: Base-Base interactions energy: -139.364 where: short stacking energy: -62.389 Base-Backbone interact. energy: -0.017 local terms energy: -67.871306 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -14.296 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -17.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -203.313454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.313454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.313454 (E_RNA) where: Base-Base interactions energy: -134.548 where: short stacking energy: -62.343 Base-Backbone interact. energy: 0.381 local terms energy: -69.147029 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -15.458 flat angles P-C4'-P energy: -9.363 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: 5, replica: 9 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -200.387967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.387967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.387967 (E_RNA) where: Base-Base interactions energy: -132.243 where: short stacking energy: -59.073 Base-Backbone interact. energy: -0.805 local terms energy: -67.340012 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -18.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -201.365229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.365229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.365229 (E_RNA) where: Base-Base interactions energy: -140.452 where: short stacking energy: -55.967 Base-Backbone interact. energy: -0.117 local terms energy: -60.795591 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -16.147 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -13.915 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: 46 Temperature: 1.200000 Total energy: -82.053039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.053039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.053039 (E_RNA) where: Base-Base interactions energy: -31.765 where: short stacking energy: -31.765 Base-Backbone interact. energy: -0.038 local terms energy: -50.249787 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -9.879 flat angles P-C4'-P energy: -10.449 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: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -123.335710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.335710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.335710 (E_RNA) where: Base-Base interactions energy: -70.490 where: short stacking energy: -39.881 Base-Backbone interact. energy: -0.146 local terms energy: -52.700112 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -72.997180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.997180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.997180 (E_RNA) where: Base-Base interactions energy: -27.806 where: short stacking energy: -20.073 Base-Backbone interact. energy: -0.873 local terms energy: -44.318736 where: bonds (distance) C4'-P energy: -9.308 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -82.425590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.425590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.425590 (E_RNA) where: Base-Base interactions energy: -28.396 where: short stacking energy: -28.396 Base-Backbone interact. energy: -1.380 local terms energy: -52.649568 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -9.226 flat angles P-C4'-P energy: -7.193 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -213.718665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.718665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.718665 (E_RNA) where: Base-Base interactions energy: -147.218 where: short stacking energy: -71.760 Base-Backbone interact. energy: -0.027 local terms energy: -66.472967 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -18.249 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: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -206.925596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.925596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.925596 (E_RNA) where: Base-Base interactions energy: -139.597 where: short stacking energy: -64.870 Base-Backbone interact. energy: -0.034 local terms energy: -67.294707 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -7.566 tors. eta vs tors. theta energy: -18.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -211.216271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.216271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.216271 (E_RNA) where: Base-Base interactions energy: -135.860 where: short stacking energy: -58.581 Base-Backbone interact. energy: -0.127 local terms energy: -75.229357 where: bonds (distance) C4'-P energy: -13.881 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -13.217 tors. eta vs tors. theta energy: -17.619 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: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -201.713158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.713158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.713158 (E_RNA) where: Base-Base interactions energy: -133.914 where: short stacking energy: -65.697 Base-Backbone interact. energy: -0.085 local terms energy: -67.714283 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: -18.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -200.201535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.201535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.201535 (E_RNA) where: Base-Base interactions energy: -139.119 where: short stacking energy: -68.590 Base-Backbone interact. energy: -0.039 local terms energy: -61.043245 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -17.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -203.646008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.646008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.646008 (E_RNA) where: Base-Base interactions energy: -142.513 where: short stacking energy: -59.374 Base-Backbone interact. energy: -0.878 local terms energy: -60.254410 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -11.837 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -11.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -83.380384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.380384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.380384 (E_RNA) where: Base-Base interactions energy: -33.531 where: short stacking energy: -33.531 Base-Backbone interact. energy: -0.077 local terms energy: -49.772746 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -7.564 flat angles C4'-P-C4' energy: -11.062 flat angles P-C4'-P energy: -7.830 tors. eta vs tors. theta energy: -9.961 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: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -132.860100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.860100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.860100 (E_RNA) where: Base-Base interactions energy: -81.260 where: short stacking energy: -44.539 Base-Backbone interact. energy: -0.213 local terms energy: -51.386637 where: bonds (distance) C4'-P energy: -8.674 bonds (distance) P-C4' energy: -11.827 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -8.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -72.025636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.025636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.025636 (E_RNA) where: Base-Base interactions energy: -29.037 where: short stacking energy: -29.037 Base-Backbone interact. energy: -0.014 local terms energy: -42.974992 where: bonds (distance) C4'-P energy: -13.220 bonds (distance) P-C4' energy: -10.296 flat angles C4'-P-C4' energy: -9.154 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -90.679969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.679969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.679969 (E_RNA) where: Base-Base interactions energy: -39.336 where: short stacking energy: -37.682 Base-Backbone interact. energy: -0.104 local terms energy: -51.239953 where: bonds (distance) C4'-P energy: -8.370 bonds (distance) P-C4' energy: -11.975 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -8.897 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: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -211.679902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.679902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.679902 (E_RNA) where: Base-Base interactions energy: -137.426 where: short stacking energy: -63.152 Base-Backbone interact. energy: -0.011 local terms energy: -74.242672 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -11.730 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: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -217.000943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.000943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.000943 (E_RNA) where: Base-Base interactions energy: -143.744 where: short stacking energy: -64.008 Base-Backbone interact. energy: -0.047 local terms energy: -73.210784 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -17.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -211.365151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.365151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.365151 (E_RNA) where: Base-Base interactions energy: -146.342 where: short stacking energy: -64.395 Base-Backbone interact. energy: -0.030 local terms energy: -64.993596 where: bonds (distance) C4'-P energy: -8.979 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -18.521 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: 4, replica: 9 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -207.762664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.762664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.762664 (E_RNA) where: Base-Base interactions energy: -139.376 where: short stacking energy: -72.241 Base-Backbone interact. energy: -0.001 local terms energy: -68.386274 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -10.845 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: 5, replica: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -213.992644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.992644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.992644 (E_RNA) where: Base-Base interactions energy: -146.123 where: short stacking energy: -63.219 Base-Backbone interact. energy: -0.048 local terms energy: -67.821407 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -5.479 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: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -195.763151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.763151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.763151 (E_RNA) where: Base-Base interactions energy: -129.950 where: short stacking energy: -58.224 Base-Backbone interact. energy: -0.212 local terms energy: -65.601350 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -14.598 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -15.211 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: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -87.960803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.960803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.960803 (E_RNA) where: Base-Base interactions energy: -41.573 where: short stacking energy: -28.498 Base-Backbone interact. energy: -1.447 local terms energy: -44.939879 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -9.517 tors. eta vs tors. theta energy: -4.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -79.831685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.831685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.831685 (E_RNA) where: Base-Base interactions energy: -26.463 where: short stacking energy: -21.156 Base-Backbone interact. energy: -0.805 local terms energy: -52.563084 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -8.060 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -78.512547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.512547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.512547 (E_RNA) where: Base-Base interactions energy: -33.410 where: short stacking energy: -26.833 Base-Backbone interact. energy: 2.152 local terms energy: -47.254388 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -73.832993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.832993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.832993 (E_RNA) where: Base-Base interactions energy: -29.902 where: short stacking energy: -29.807 Base-Backbone interact. energy: -0.127 local terms energy: -43.803830 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -11.582 flat angles C4'-P-C4' energy: -10.288 flat angles P-C4'-P energy: -7.932 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: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -205.955468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.955468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.955468 (E_RNA) where: Base-Base interactions energy: -137.867 where: short stacking energy: -63.691 Base-Backbone interact. energy: -0.028 local terms energy: -68.060420 where: bonds (distance) C4'-P energy: -9.102 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -15.466 flat angles P-C4'-P energy: -8.530 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: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -215.615458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.615458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.615458 (E_RNA) where: Base-Base interactions energy: -147.182 where: short stacking energy: -66.205 Base-Backbone interact. energy: -0.053 local terms energy: -68.380670 where: bonds (distance) C4'-P energy: -14.536 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -14.925 flat angles P-C4'-P energy: -10.969 tors. eta vs tors. theta energy: -16.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -212.322936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.322936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.322936 (E_RNA) where: Base-Base interactions energy: -146.659 where: short stacking energy: -64.327 Base-Backbone interact. energy: -0.248 local terms energy: -65.415065 where: bonds (distance) C4'-P energy: -11.508 bonds (distance) P-C4' energy: -9.351 flat angles C4'-P-C4' energy: -13.657 flat angles P-C4'-P energy: -10.836 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: 9 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -193.242908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.242908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.242908 (E_RNA) where: Base-Base interactions energy: -131.685 where: short stacking energy: -60.892 Base-Backbone interact. energy: -0.192 local terms energy: -61.365213 where: bonds (distance) C4'-P energy: -7.420 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -9.958 tors. eta vs tors. theta energy: -18.345 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: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -205.444249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.444249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.444249 (E_RNA) where: Base-Base interactions energy: -139.024 where: short stacking energy: -62.407 Base-Backbone interact. energy: -0.142 local terms energy: -66.278310 where: bonds (distance) C4'-P energy: -11.911 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -17.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -183.698597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.698597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.698597 (E_RNA) where: Base-Base interactions energy: -122.907 where: short stacking energy: -54.703 Base-Backbone interact. energy: -0.537 local terms energy: -60.254469 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -15.095 flat angles C4'-P-C4' energy: -10.918 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -14.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -146.653862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.653862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.653862 (E_RNA) where: Base-Base interactions energy: -96.479 where: short stacking energy: -38.452 Base-Backbone interact. energy: -0.732 local terms energy: -49.442532 where: bonds (distance) C4'-P energy: -10.715 bonds (distance) P-C4' energy: -10.442 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -9.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -83.661882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.661882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.661882 (E_RNA) where: Base-Base interactions energy: -36.524 where: short stacking energy: -25.840 Base-Backbone interact. energy: 0.330 local terms energy: -47.467955 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -12.358 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -76.779168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.779168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.779168 (E_RNA) where: Base-Base interactions energy: -26.121 where: short stacking energy: -20.951 Base-Backbone interact. energy: 0.900 local terms energy: -51.557891 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -79.121786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.121786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.121786 (E_RNA) where: Base-Base interactions energy: -26.807 where: short stacking energy: -22.092 Base-Backbone interact. energy: 0.155 local terms energy: -52.468981 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: 0.240 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: 50 Temperature: 0.900000 Total energy: -217.718354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.718354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.718354 (E_RNA) where: Base-Base interactions energy: -148.197 where: short stacking energy: -67.743 Base-Backbone interact. energy: -0.039 local terms energy: -69.482092 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -17.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -210.205902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.205902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.205902 (E_RNA) where: Base-Base interactions energy: -141.168 where: short stacking energy: -68.939 Base-Backbone interact. energy: -0.280 local terms energy: -68.757712 where: bonds (distance) C4'-P energy: -10.329 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -9.429 tors. eta vs tors. theta energy: -20.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -209.165764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.165764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.165764 (E_RNA) where: Base-Base interactions energy: -145.579 where: short stacking energy: -59.597 Base-Backbone interact. energy: -0.079 local terms energy: -63.507834 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -13.330 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -14.959 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: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -191.434112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.434112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.434112 (E_RNA) where: Base-Base interactions energy: -130.562 where: short stacking energy: -57.364 Base-Backbone interact. energy: -0.125 local terms energy: -60.747206 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -10.903 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -15.744 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: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -199.877940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.877940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.877940 (E_RNA) where: Base-Base interactions energy: -135.659 where: short stacking energy: -64.281 Base-Backbone interact. energy: -0.006 local terms energy: -64.212645 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -11.498 flat angles C4'-P-C4' energy: -12.295 flat angles P-C4'-P energy: -10.253 tors. eta vs tors. theta energy: -18.591 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: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -201.851581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.851581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.851581 (E_RNA) where: Base-Base interactions energy: -140.038 where: short stacking energy: -60.517 Base-Backbone interact. energy: -0.070 local terms energy: -61.743966 where: bonds (distance) C4'-P energy: -11.026 bonds (distance) P-C4' energy: -9.657 flat angles C4'-P-C4' energy: -13.929 flat angles P-C4'-P energy: -11.161 tors. eta vs tors. theta energy: -15.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -190.214266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.214266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.214266 (E_RNA) where: Base-Base interactions energy: -126.985 where: short stacking energy: -55.111 Base-Backbone interact. energy: -0.163 local terms energy: -63.065914 where: bonds (distance) C4'-P energy: -13.868 bonds (distance) P-C4' energy: -14.497 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -9.168 tors. eta vs tors. theta energy: -15.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -81.498893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.498893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.498893 (E_RNA) where: Base-Base interactions energy: -32.292 where: short stacking energy: -31.481 Base-Backbone interact. energy: 0.979 local terms energy: -50.186255 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -12.512 flat angles C4'-P-C4' energy: -9.579 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -6.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -81.022769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.022769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.022769 (E_RNA) where: Base-Base interactions energy: -31.885 where: short stacking energy: -28.115 Base-Backbone interact. energy: -0.136 local terms energy: -49.001341 where: bonds (distance) C4'-P energy: -11.185 bonds (distance) P-C4' energy: -15.864 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -4.789 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: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -76.209787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.209787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.209787 (E_RNA) where: Base-Base interactions energy: -28.095 where: short stacking energy: -14.224 Base-Backbone interact. energy: -0.351 local terms energy: -47.763586 where: bonds (distance) C4'-P energy: -13.272 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: 0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -215.665065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.665065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.665065 (E_RNA) where: Base-Base interactions energy: -143.392 where: short stacking energy: -60.583 Base-Backbone interact. energy: -1.587 local terms energy: -70.686115 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -17.504 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: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -217.937395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.937395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.937395 (E_RNA) where: Base-Base interactions energy: -147.394 where: short stacking energy: -66.500 Base-Backbone interact. energy: -0.157 local terms energy: -70.385920 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -10.925 flat angles C4'-P-C4' energy: -15.677 flat angles P-C4'-P energy: -10.714 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: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -201.586928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.586928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.586928 (E_RNA) where: Base-Base interactions energy: -131.780 where: short stacking energy: -60.281 Base-Backbone interact. energy: -0.021 local terms energy: -69.786348 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -15.329 flat angles P-C4'-P energy: -8.207 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: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -212.197762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.197762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.197762 (E_RNA) where: Base-Base interactions energy: -137.742 where: short stacking energy: -63.164 Base-Backbone interact. energy: 0.195 local terms energy: -74.650768 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -17.370 flat angles C4'-P-C4' energy: -15.606 flat angles P-C4'-P energy: -11.051 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: 5, replica: 9 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -195.091499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.091499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.091499 (E_RNA) where: Base-Base interactions energy: -127.661 where: short stacking energy: -59.114 Base-Backbone interact. energy: -0.079 local terms energy: -67.351866 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -18.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -200.176860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.176860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.176860 (E_RNA) where: Base-Base interactions energy: -133.276 where: short stacking energy: -62.334 Base-Backbone interact. energy: -0.426 local terms energy: -66.474692 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -10.109 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: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -198.492062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.492062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.492062 (E_RNA) where: Base-Base interactions energy: -139.824 where: short stacking energy: -60.522 Base-Backbone interact. energy: -0.004 local terms energy: -58.663843 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -9.879 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -16.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -79.394950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.394950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.394950 (E_RNA) where: Base-Base interactions energy: -27.076 where: short stacking energy: -27.076 Base-Backbone interact. energy: -0.241 local terms energy: -52.077594 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -76.192483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.192483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.192483 (E_RNA) where: Base-Base interactions energy: -24.445 where: short stacking energy: -22.324 Base-Backbone interact. energy: -0.825 local terms energy: -50.922031 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -4.601 tors. eta vs tors. theta energy: -6.356 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: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -70.917299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.917299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.917299 (E_RNA) where: Base-Base interactions energy: -31.935 where: short stacking energy: -19.508 Base-Backbone interact. energy: -0.114 local terms energy: -38.868080 where: bonds (distance) C4'-P energy: -10.958 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -224.425426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.425426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.425426 (E_RNA) where: Base-Base interactions energy: -152.043 where: short stacking energy: -68.627 Base-Backbone interact. energy: -0.279 local terms energy: -72.103699 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -16.595 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -20.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -216.438261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.438261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.438261 (E_RNA) where: Base-Base interactions energy: -147.698 where: short stacking energy: -64.545 Base-Backbone interact. energy: -2.156 local terms energy: -66.584185 where: bonds (distance) C4'-P energy: -12.296 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -10.937 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -17.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -209.847713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.847713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.847713 (E_RNA) where: Base-Base interactions energy: -143.621 where: short stacking energy: -68.542 Base-Backbone interact. energy: -0.235 local terms energy: -65.991314 where: bonds (distance) C4'-P energy: -9.704 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -9.474 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: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -200.003947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.003947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.003947 (E_RNA) where: Base-Base interactions energy: -130.325 where: short stacking energy: -59.742 Base-Backbone interact. energy: -0.118 local terms energy: -69.560503 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -15.502 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -14.434 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: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -199.235112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.235112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.235112 (E_RNA) where: Base-Base interactions energy: -136.445 where: short stacking energy: -60.571 Base-Backbone interact. energy: -0.047 local terms energy: -62.743728 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -11.419 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -12.599 tors. eta vs tors. theta energy: -15.476 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: 6, replica: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -199.008862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.008862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.008862 (E_RNA) where: Base-Base interactions energy: -136.394 where: short stacking energy: -65.069 Base-Backbone interact. energy: -0.011 local terms energy: -62.604440 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -13.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -207.403319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.403319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.403319 (E_RNA) where: Base-Base interactions energy: -140.119 where: short stacking energy: -59.104 Base-Backbone interact. energy: -0.041 local terms energy: -67.242740 where: bonds (distance) C4'-P energy: -9.091 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -9.221 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: 8, replica: 8 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -76.795075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.795075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.795075 (E_RNA) where: Base-Base interactions energy: -33.889 where: short stacking energy: -31.121 Base-Backbone interact. energy: -0.173 local terms energy: -42.733187 where: bonds (distance) C4'-P energy: -10.024 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -71.546349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.546349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.546349 (E_RNA) where: Base-Base interactions energy: -29.223 where: short stacking energy: -15.720 Base-Backbone interact. energy: -0.391 local terms energy: -41.932617 where: bonds (distance) C4'-P energy: -10.868 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: 1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -69.803002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.803002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.803002 (E_RNA) where: Base-Base interactions energy: -29.619 where: short stacking energy: -26.505 Base-Backbone interact. energy: -0.433 local terms energy: -39.750542 where: bonds (distance) C4'-P energy: -9.731 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -6.387 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: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -218.536956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.536956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.536956 (E_RNA) where: Base-Base interactions energy: -151.260 where: short stacking energy: -65.603 Base-Backbone interact. energy: 1.477 local terms energy: -68.753816 where: bonds (distance) C4'-P energy: -8.111 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -15.915 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -18.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -210.469588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.469588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.469588 (E_RNA) where: Base-Base interactions energy: -136.166 where: short stacking energy: -61.558 Base-Backbone interact. energy: -0.001 local terms energy: -74.302488 where: bonds (distance) C4'-P energy: -12.586 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -14.587 flat angles P-C4'-P energy: -11.716 tors. eta vs tors. theta energy: -19.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -216.644853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.644853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.644853 (E_RNA) where: Base-Base interactions energy: -148.453 where: short stacking energy: -60.090 Base-Backbone interact. energy: -0.499 local terms energy: -67.692008 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -10.935 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: -16.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -208.951647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.951647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.951647 (E_RNA) where: Base-Base interactions energy: -144.674 where: short stacking energy: -58.011 Base-Backbone interact. energy: -0.317 local terms energy: -63.960520 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -15.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -198.188126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.188126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.188126 (E_RNA) where: Base-Base interactions energy: -140.110 where: short stacking energy: -61.879 Base-Backbone interact. energy: -0.084 local terms energy: -57.993763 where: bonds (distance) C4'-P energy: -7.237 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -9.602 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -17.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -210.886959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.886959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.886959 (E_RNA) where: Base-Base interactions energy: -138.472 where: short stacking energy: -58.591 Base-Backbone interact. energy: -0.016 local terms energy: -72.399377 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -18.433 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: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -158.937701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.937701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.937701 (E_RNA) where: Base-Base interactions energy: -107.341 where: short stacking energy: -46.610 Base-Backbone interact. energy: -0.015 local terms energy: -51.581695 where: bonds (distance) C4'-P energy: -10.889 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -9.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -79.618057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.618057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.618057 (E_RNA) where: Base-Base interactions energy: -31.900 where: short stacking energy: -31.900 Base-Backbone interact. energy: -0.005 local terms energy: -47.713070 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -10.524 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -94.106821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.106821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.106821 (E_RNA) where: Base-Base interactions energy: -48.293 where: short stacking energy: -48.293 Base-Backbone interact. energy: -0.022 local terms energy: -45.791747 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -11.794 flat angles C4'-P-C4' energy: -11.300 flat angles P-C4'-P energy: -0.465 tors. eta vs tors. theta energy: -14.015 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: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -82.168487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.168487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.168487 (E_RNA) where: Base-Base interactions energy: -33.164 where: short stacking energy: -33.164 Base-Backbone interact. energy: -0.518 local terms energy: -48.486770 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -12.470 flat angles C4'-P-C4' energy: -12.408 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -4.983 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: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -209.748951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.748951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.748951 (E_RNA) where: Base-Base interactions energy: -135.984 where: short stacking energy: -66.155 Base-Backbone interact. energy: -0.560 local terms energy: -73.204609 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -14.894 flat angles P-C4'-P energy: -12.089 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: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -220.617441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.617441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.617441 (E_RNA) where: Base-Base interactions energy: -149.962 where: short stacking energy: -63.331 Base-Backbone interact. energy: -1.236 local terms energy: -69.419238 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -13.466 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -16.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -219.163517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.163517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.163517 (E_RNA) where: Base-Base interactions energy: -148.927 where: short stacking energy: -67.070 Base-Backbone interact. energy: -0.052 local terms energy: -70.184739 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -12.709 flat angles P-C4'-P energy: -12.485 tors. eta vs tors. theta energy: -17.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -217.321630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.321630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.321630 (E_RNA) where: Base-Base interactions energy: -152.334 where: short stacking energy: -64.966 Base-Backbone interact. energy: -0.029 local terms energy: -64.958821 where: bonds (distance) C4'-P energy: -8.052 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -211.060925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.060925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.060925 (E_RNA) where: Base-Base interactions energy: -144.548 where: short stacking energy: -59.551 Base-Backbone interact. energy: -1.055 local terms energy: -65.458487 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -9.902 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: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -189.952721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.952721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.952721 (E_RNA) where: Base-Base interactions energy: -123.449 where: short stacking energy: -55.655 Base-Backbone interact. energy: -0.099 local terms energy: -66.404650 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -15.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -85.273117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.273117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.273117 (E_RNA) where: Base-Base interactions energy: -38.497 where: short stacking energy: -31.369 Base-Backbone interact. energy: -0.099 local terms energy: -46.677081 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -11.537 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -9.018 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -139.815414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.815414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.815414 (E_RNA) where: Base-Base interactions energy: -82.086 where: short stacking energy: -37.194 Base-Backbone interact. energy: -0.310 local terms energy: -57.418768 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -13.534 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -7.765 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: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -73.818019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.818019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.818019 (E_RNA) where: Base-Base interactions energy: -26.387 where: short stacking energy: -26.387 Base-Backbone interact. energy: 0.177 local terms energy: -47.607231 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -10.220 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -72.010857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.010857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.010857 (E_RNA) where: Base-Base interactions energy: -25.250 where: short stacking energy: -25.250 Base-Backbone interact. energy: 0.075 local terms energy: -46.835949 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -15.221 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -214.322692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.322692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.322692 (E_RNA) where: Base-Base interactions energy: -140.602 where: short stacking energy: -68.285 Base-Backbone interact. energy: -0.171 local terms energy: -73.549388 where: bonds (distance) C4'-P energy: -15.695 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -15.692 flat angles P-C4'-P energy: -8.180 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: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -216.697306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.697306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.697306 (E_RNA) where: Base-Base interactions energy: -146.352 where: short stacking energy: -65.406 Base-Backbone interact. energy: -0.040 local terms energy: -70.305982 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -15.151 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -19.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -216.474917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.474917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.474917 (E_RNA) where: Base-Base interactions energy: -146.093 where: short stacking energy: -64.238 Base-Backbone interact. energy: -1.520 local terms energy: -68.861549 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -11.237 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: 4, replica: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -208.688694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.688694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.688694 (E_RNA) where: Base-Base interactions energy: -152.351 where: short stacking energy: -63.087 Base-Backbone interact. energy: -0.073 local terms energy: -56.264011 where: bonds (distance) C4'-P energy: -8.878 bonds (distance) P-C4' energy: -10.801 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -205.751001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.751001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.751001 (E_RNA) where: Base-Base interactions energy: -149.057 where: short stacking energy: -64.436 Base-Backbone interact. energy: -0.004 local terms energy: -56.690192 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -9.378 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -14.969 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: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -191.489267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.489267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.489267 (E_RNA) where: Base-Base interactions energy: -123.700 where: short stacking energy: -54.538 Base-Backbone interact. energy: -0.355 local terms energy: -67.434383 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -15.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -97.382455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.382455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.382455 (E_RNA) where: Base-Base interactions energy: -36.515 where: short stacking energy: -26.841 Base-Backbone interact. energy: -1.001 local terms energy: -59.866391 where: bonds (distance) C4'-P energy: -10.578 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -10.220 tors. eta vs tors. theta energy: -8.181 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: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -112.521840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.521840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.521840 (E_RNA) where: Base-Base interactions energy: -64.360 where: short stacking energy: -36.059 Base-Backbone interact. energy: -0.120 local terms energy: -48.041856 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -9.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -83.281829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.281829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.281829 (E_RNA) where: Base-Base interactions energy: -31.257 where: short stacking energy: -29.258 Base-Backbone interact. energy: -0.424 local terms energy: -51.600352 where: bonds (distance) C4'-P energy: -11.153 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -13.037 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -68.033892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.033892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.033892 (E_RNA) where: Base-Base interactions energy: -31.775 where: short stacking energy: -27.870 Base-Backbone interact. energy: -0.307 local terms energy: -35.952528 where: bonds (distance) C4'-P energy: -11.086 bonds (distance) P-C4' energy: -7.025 flat angles C4'-P-C4' energy: -11.831 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -217.092365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.092365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.092365 (E_RNA) where: Base-Base interactions energy: -147.294 where: short stacking energy: -65.227 Base-Backbone interact. energy: -0.165 local terms energy: -69.633542 where: bonds (distance) C4'-P energy: -11.493 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -14.216 flat angles P-C4'-P energy: -7.274 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: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -214.936603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.936603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.936603 (E_RNA) where: Base-Base interactions energy: -140.622 where: short stacking energy: -65.537 Base-Backbone interact. energy: -0.001 local terms energy: -74.314076 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -14.994 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -20.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -208.686863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.686863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.686863 (E_RNA) where: Base-Base interactions energy: -140.457 where: short stacking energy: -58.032 Base-Backbone interact. energy: -0.059 local terms energy: -68.171332 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -17.159 flat angles C4'-P-C4' energy: -16.851 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -207.663971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.663971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.663971 (E_RNA) where: Base-Base interactions energy: -140.115 where: short stacking energy: -61.324 Base-Backbone interact. energy: -0.000 local terms energy: -67.548328 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -14.705 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -19.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -205.171520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.171520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.171520 (E_RNA) where: Base-Base interactions energy: -135.422 where: short stacking energy: -56.415 Base-Backbone interact. energy: -0.219 local terms energy: -69.531076 where: bonds (distance) C4'-P energy: -13.382 bonds (distance) P-C4' energy: -14.933 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -16.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -197.066147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.066147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.066147 (E_RNA) where: Base-Base interactions energy: -135.779 where: short stacking energy: -60.356 Base-Backbone interact. energy: -0.003 local terms energy: -61.283717 where: bonds (distance) C4'-P energy: -7.686 bonds (distance) P-C4' energy: -12.118 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -9.968 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: 7, replica: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -93.784591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.784591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.784591 (E_RNA) where: Base-Base interactions energy: -50.029 where: short stacking energy: -28.298 Base-Backbone interact. energy: 0.663 local terms energy: -44.418301 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -4.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -80.675598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.675598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.675598 (E_RNA) where: Base-Base interactions energy: -31.382 where: short stacking energy: -23.102 Base-Backbone interact. energy: -0.114 local terms energy: -49.179196 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -9.665 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -90.318467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.318467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.318467 (E_RNA) where: Base-Base interactions energy: -35.313 where: short stacking energy: -35.313 Base-Backbone interact. energy: -0.089 local terms energy: -54.916267 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -7.900 flat angles C4'-P-C4' energy: -11.827 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: -10.184 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: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -74.468125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.468125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.468125 (E_RNA) where: Base-Base interactions energy: -35.062 where: short stacking energy: -32.085 Base-Backbone interact. energy: -0.125 local terms energy: -39.281140 where: bonds (distance) C4'-P energy: -8.152 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -217.271815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.271815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.271815 (E_RNA) where: Base-Base interactions energy: -147.637 where: short stacking energy: -63.815 Base-Backbone interact. energy: -0.058 local terms energy: -69.577323 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -11.641 tors. eta vs tors. theta energy: -19.670 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: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -211.707521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.707521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.707521 (E_RNA) where: Base-Base interactions energy: -137.281 where: short stacking energy: -65.117 Base-Backbone interact. energy: -0.003 local terms energy: -74.423737 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -13.561 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: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -211.684661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.684661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.684661 (E_RNA) where: Base-Base interactions energy: -142.657 where: short stacking energy: -59.521 Base-Backbone interact. energy: -0.037 local terms energy: -68.990372 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -16.669 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: 57 Temperature: 1.050000 Total energy: -202.185972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.185972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.185972 (E_RNA) where: Base-Base interactions energy: -142.328 where: short stacking energy: -60.783 Base-Backbone interact. energy: 0.717 local terms energy: -60.575706 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -12.257 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -13.528 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: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -204.122998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.122998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.122998 (E_RNA) where: Base-Base interactions energy: -136.578 where: short stacking energy: -49.704 Base-Backbone interact. energy: -0.119 local terms energy: -67.425915 where: bonds (distance) C4'-P energy: -15.997 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -12.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -186.898248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.898248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.898248 (E_RNA) where: Base-Base interactions energy: -127.786 where: short stacking energy: -58.407 Base-Backbone interact. energy: -0.717 local terms energy: -58.394750 where: bonds (distance) C4'-P energy: -9.398 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -15.273 flat angles P-C4'-P energy: -5.170 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: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -152.478137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.478137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.478137 (E_RNA) where: Base-Base interactions energy: -97.692 where: short stacking energy: -41.189 Base-Backbone interact. energy: -1.636 local terms energy: -53.149442 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -79.133403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.133403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.133403 (E_RNA) where: Base-Base interactions energy: -36.297 where: short stacking energy: -32.452 Base-Backbone interact. energy: -0.066 local terms energy: -42.770302 where: bonds (distance) C4'-P energy: -8.992 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -4.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -78.656602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.656602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.656602 (E_RNA) where: Base-Base interactions energy: -34.585 where: short stacking energy: -20.154 Base-Backbone interact. energy: -1.072 local terms energy: -42.999811 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -9.227 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: 0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -71.533330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.533330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.533330 (E_RNA) where: Base-Base interactions energy: -28.017 where: short stacking energy: -28.017 Base-Backbone interact. energy: -0.116 local terms energy: -43.400528 where: bonds (distance) C4'-P energy: -8.546 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -9.954 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -208.945344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.945344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.945344 (E_RNA) where: Base-Base interactions energy: -140.048 where: short stacking energy: -67.096 Base-Backbone interact. energy: -0.338 local terms energy: -68.559774 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -14.542 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -18.776 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: 5 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -220.425952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.425952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.425952 (E_RNA) where: Base-Base interactions energy: -150.008 where: short stacking energy: -64.839 Base-Backbone interact. energy: -0.406 local terms energy: -70.012422 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -12.533 tors. eta vs tors. theta energy: -17.614 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: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -214.021948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.021948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.021948 (E_RNA) where: Base-Base interactions energy: -146.618 where: short stacking energy: -65.321 Base-Backbone interact. energy: -0.616 local terms energy: -66.787325 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -10.661 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -11.566 tors. eta vs tors. theta energy: -19.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -211.301146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.301146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.301146 (E_RNA) where: Base-Base interactions energy: -141.114 where: short stacking energy: -66.454 Base-Backbone interact. energy: -0.003 local terms energy: -70.183895 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -13.602 flat angles P-C4'-P energy: -12.594 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: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -197.713100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.713100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.713100 (E_RNA) where: Base-Base interactions energy: -133.368 where: short stacking energy: -57.335 Base-Backbone interact. energy: -0.066 local terms energy: -64.278974 where: bonds (distance) C4'-P energy: -14.647 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -13.314 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -198.830591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.830591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.830591 (E_RNA) where: Base-Base interactions energy: -131.224 where: short stacking energy: -61.453 Base-Backbone interact. energy: -0.006 local terms energy: -67.600509 where: bonds (distance) C4'-P energy: -10.467 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -19.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -151.660488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.660488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.660488 (E_RNA) where: Base-Base interactions energy: -90.033 where: short stacking energy: -43.396 Base-Backbone interact. energy: -0.297 local terms energy: -61.330023 where: bonds (distance) C4'-P energy: -16.229 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -7.071 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: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -83.205613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.205613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.205613 (E_RNA) where: Base-Base interactions energy: -38.145 where: short stacking energy: -36.037 Base-Backbone interact. energy: -0.163 local terms energy: -44.897696 where: bonds (distance) C4'-P energy: -10.563 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -8.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -68.528555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.528555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.528555 (E_RNA) where: Base-Base interactions energy: -25.241 where: short stacking energy: -22.332 Base-Backbone interact. energy: 0.000 local terms energy: -43.287831 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -9.839 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: 3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -92.975308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.975308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.975308 (E_RNA) where: Base-Base interactions energy: -38.611 where: short stacking energy: -29.573 Base-Backbone interact. energy: -0.929 local terms energy: -53.434675 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -211.829267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.829267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.829267 (E_RNA) where: Base-Base interactions energy: -140.224 where: short stacking energy: -65.307 Base-Backbone interact. energy: -0.488 local terms energy: -71.116370 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -10.846 flat angles C4'-P-C4' energy: -15.972 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -20.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -210.672258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.672258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.672258 (E_RNA) where: Base-Base interactions energy: -141.011 where: short stacking energy: -65.574 Base-Backbone interact. energy: -0.245 local terms energy: -69.417038 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -13.789 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -11.365 tors. eta vs tors. theta energy: -16.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -218.001462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.001462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.001462 (E_RNA) where: Base-Base interactions energy: -148.421 where: short stacking energy: -64.845 Base-Backbone interact. energy: -0.549 local terms energy: -69.031433 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -11.689 tors. eta vs tors. theta energy: -18.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -213.092634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.092634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.092634 (E_RNA) where: Base-Base interactions energy: -140.956 where: short stacking energy: -65.685 Base-Backbone interact. energy: -0.005 local terms energy: -72.131138 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -18.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -208.360839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.360839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.360839 (E_RNA) where: Base-Base interactions energy: -141.962 where: short stacking energy: -60.798 Base-Backbone interact. energy: -1.120 local terms energy: -65.279348 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -10.387 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -17.533 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: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -200.572729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.572729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.572729 (E_RNA) where: Base-Base interactions energy: -135.574 where: short stacking energy: -65.491 Base-Backbone interact. energy: -0.581 local terms energy: -64.417905 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -8.786 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -8.974 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: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -151.366385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.366385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.366385 (E_RNA) where: Base-Base interactions energy: -103.969 where: short stacking energy: -46.360 Base-Backbone interact. energy: 0.372 local terms energy: -47.769017 where: bonds (distance) C4'-P energy: -8.131 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -15.844 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -82.129514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.129514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.129514 (E_RNA) where: Base-Base interactions energy: -38.559 where: short stacking energy: -33.232 Base-Backbone interact. energy: -0.063 local terms energy: -43.507752 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -82.387114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.387114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.387114 (E_RNA) where: Base-Base interactions energy: -39.251 where: short stacking energy: -34.019 Base-Backbone interact. energy: 2.295 local terms energy: -45.431487 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -9.825 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -74.292135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.292135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.292135 (E_RNA) where: Base-Base interactions energy: -30.791 where: short stacking energy: -30.791 Base-Backbone interact. energy: -0.009 local terms energy: -43.492191 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -10.707 flat angles C4'-P-C4' energy: -10.618 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -4.466 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: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -222.494469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.494469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.494469 (E_RNA) where: Base-Base interactions energy: -153.162 where: short stacking energy: -67.849 Base-Backbone interact. energy: -0.630 local terms energy: -68.702212 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -14.433 flat angles P-C4'-P energy: -7.383 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: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -205.025769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.025769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.025769 (E_RNA) where: Base-Base interactions energy: -137.288 where: short stacking energy: -65.111 Base-Backbone interact. energy: -0.283 local terms energy: -67.454599 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -13.319 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -18.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -205.565204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.565204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.565204 (E_RNA) where: Base-Base interactions energy: -139.263 where: short stacking energy: -61.581 Base-Backbone interact. energy: 0.032 local terms energy: -66.334057 where: bonds (distance) C4'-P energy: -13.319 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -11.556 flat angles P-C4'-P energy: -10.776 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: 4, replica: 5 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -213.005136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.005136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.005136 (E_RNA) where: Base-Base interactions energy: -149.009 where: short stacking energy: -66.634 Base-Backbone interact. energy: -0.059 local terms energy: -63.936665 where: bonds (distance) C4'-P energy: -10.806 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -11.705 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -203.231996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.231996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.231996 (E_RNA) where: Base-Base interactions energy: -131.263 where: short stacking energy: -57.197 Base-Backbone interact. energy: -0.053 local terms energy: -71.915696 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -11.186 tors. eta vs tors. theta energy: -18.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -205.139702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.139702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.139702 (E_RNA) where: Base-Base interactions energy: -131.260 where: short stacking energy: -62.134 Base-Backbone interact. energy: -0.020 local terms energy: -73.859429 where: bonds (distance) C4'-P energy: -14.976 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -12.423 tors. eta vs tors. theta energy: -19.156 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: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -152.772231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.772231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.772231 (E_RNA) where: Base-Base interactions energy: -112.278 where: short stacking energy: -47.541 Base-Backbone interact. energy: -0.264 local terms energy: -40.230696 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -0.181 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -75.488057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.488057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.488057 (E_RNA) where: Base-Base interactions energy: -26.003 where: short stacking energy: -21.097 Base-Backbone interact. energy: 0.014 local terms energy: -49.498577 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -77.948763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.948763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.948763 (E_RNA) where: Base-Base interactions energy: -31.690 where: short stacking energy: -31.690 Base-Backbone interact. energy: -0.213 local terms energy: -46.046273 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -12.429 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -7.193 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: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -69.041408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.041408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.041408 (E_RNA) where: Base-Base interactions energy: -29.386 where: short stacking energy: -29.386 Base-Backbone interact. energy: -0.079 local terms energy: -39.576036 where: bonds (distance) C4'-P energy: -9.535 bonds (distance) P-C4' energy: -9.055 flat angles C4'-P-C4' energy: -9.039 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -4.357 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: 61 Temperature: 0.900000 Total energy: -221.688714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.688714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.688714 (E_RNA) where: Base-Base interactions energy: -147.860 where: short stacking energy: -65.066 Base-Backbone interact. energy: -1.215 local terms energy: -72.613703 where: bonds (distance) C4'-P energy: -10.891 bonds (distance) P-C4' energy: -17.581 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -12.704 tors. eta vs tors. theta energy: -19.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -210.077855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.077855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.077855 (E_RNA) where: Base-Base interactions energy: -138.399 where: short stacking energy: -68.109 Base-Backbone interact. energy: -0.077 local terms energy: -71.601787 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -16.346 flat angles P-C4'-P energy: -10.783 tors. eta vs tors. theta energy: -19.053 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: 61 Temperature: 1.000000 Total energy: -209.268343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.268343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.268343 (E_RNA) where: Base-Base interactions energy: -145.643 where: short stacking energy: -60.442 Base-Backbone interact. energy: -0.113 local terms energy: -63.512404 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -11.791 tors. eta vs tors. theta energy: -13.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -209.000803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.000803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.000803 (E_RNA) where: Base-Base interactions energy: -143.324 where: short stacking energy: -62.084 Base-Backbone interact. energy: -0.177 local terms energy: -65.500360 where: bonds (distance) C4'-P energy: -13.351 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -12.806 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: -17.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -214.064387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.064387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.064387 (E_RNA) where: Base-Base interactions energy: -141.086 where: short stacking energy: -63.286 Base-Backbone interact. energy: -0.170 local terms energy: -72.807962 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -13.291 flat angles C4'-P-C4' energy: -16.114 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -18.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -182.105853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.105853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.105853 (E_RNA) where: Base-Base interactions energy: -124.639 where: short stacking energy: -51.236 Base-Backbone interact. energy: -0.082 local terms energy: -57.384871 where: bonds (distance) C4'-P energy: -11.030 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -12.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -154.533948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.533948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.533948 (E_RNA) where: Base-Base interactions energy: -104.048 where: short stacking energy: -54.745 Base-Backbone interact. energy: -0.041 local terms energy: -50.445251 where: bonds (distance) C4'-P energy: -9.667 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -6.571 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: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -89.463201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.463201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.463201 (E_RNA) where: Base-Base interactions energy: -38.962 where: short stacking energy: -38.962 Base-Backbone interact. energy: -0.033 local terms energy: -50.468661 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -6.908 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: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -81.872402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.872402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.872402 (E_RNA) where: Base-Base interactions energy: -40.591 where: short stacking energy: -21.683 Base-Backbone interact. energy: 0.231 local terms energy: -41.512406 where: bonds (distance) C4'-P energy: -9.071 bonds (distance) P-C4' energy: -7.684 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -7.559 tors. eta vs tors. theta energy: -3.296 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: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -85.589688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.589688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.589688 (E_RNA) where: Base-Base interactions energy: -34.241 where: short stacking energy: -29.497 Base-Backbone interact. energy: -0.183 local terms energy: -51.165552 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -12.095 flat angles P-C4'-P energy: -11.664 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: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -223.099270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.099270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.099270 (E_RNA) where: Base-Base interactions energy: -147.780 where: short stacking energy: -66.387 Base-Backbone interact. energy: -0.354 local terms energy: -74.965326 where: bonds (distance) C4'-P energy: -15.048 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -12.384 tors. eta vs tors. theta energy: -19.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -208.980042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.980042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.980042 (E_RNA) where: Base-Base interactions energy: -135.693 where: short stacking energy: -60.993 Base-Backbone interact. energy: -0.153 local terms energy: -73.134419 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -15.235 flat angles P-C4'-P energy: -11.953 tors. eta vs tors. theta energy: -19.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -219.290392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.290392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.290392 (E_RNA) where: Base-Base interactions energy: -150.194 where: short stacking energy: -64.028 Base-Backbone interact. energy: -0.257 local terms energy: -68.839006 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -7.425 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: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -205.239766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.239766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.239766 (E_RNA) where: Base-Base interactions energy: -133.043 where: short stacking energy: -59.693 Base-Backbone interact. energy: -0.073 local terms energy: -72.123909 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -12.370 tors. eta vs tors. theta energy: -18.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -202.039738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.039738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.039738 (E_RNA) where: Base-Base interactions energy: -138.263 where: short stacking energy: -58.768 Base-Backbone interact. energy: -0.098 local terms energy: -63.678788 where: bonds (distance) C4'-P energy: -10.103 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -10.758 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -17.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -210.837752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.837752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.837752 (E_RNA) where: Base-Base interactions energy: -140.844 where: short stacking energy: -58.705 Base-Backbone interact. energy: -0.000 local terms energy: -69.993199 where: bonds (distance) C4'-P energy: -12.098 bonds (distance) P-C4' energy: -13.527 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -13.199 tors. eta vs tors. theta energy: -17.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -172.624763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.624763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.624763 (E_RNA) where: Base-Base interactions energy: -109.913 where: short stacking energy: -46.828 Base-Backbone interact. energy: 1.558 local terms energy: -64.269125 where: bonds (distance) C4'-P energy: -14.187 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -8.027 tors. eta vs tors. theta energy: -10.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -93.083870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.083870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.083870 (E_RNA) where: Base-Base interactions energy: -39.605 where: short stacking energy: -38.857 Base-Backbone interact. energy: -0.179 local terms energy: -53.300393 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -10.890 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -7.012 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: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -109.186451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.186451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.186451 (E_RNA) where: Base-Base interactions energy: -60.799 where: short stacking energy: -29.874 Base-Backbone interact. energy: -0.088 local terms energy: -48.299746 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -11.213 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -6.709 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: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -77.741643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.741643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.741643 (E_RNA) where: Base-Base interactions energy: -30.890 where: short stacking energy: -19.625 Base-Backbone interact. energy: -0.153 local terms energy: -46.698459 where: bonds (distance) C4'-P energy: -12.955 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -9.854 flat angles P-C4'-P energy: -6.804 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: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -219.723878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.723878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.723878 (E_RNA) where: Base-Base interactions energy: -151.848 where: short stacking energy: -62.945 Base-Backbone interact. energy: -0.073 local terms energy: -67.802038 where: bonds (distance) C4'-P energy: -15.439 bonds (distance) P-C4' energy: -14.752 flat angles C4'-P-C4' energy: -10.281 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -15.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -220.536265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.536265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.536265 (E_RNA) where: Base-Base interactions energy: -150.523 where: short stacking energy: -61.577 Base-Backbone interact. energy: -0.084 local terms energy: -69.929715 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -19.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -208.386201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.386201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.386201 (E_RNA) where: Base-Base interactions energy: -139.560 where: short stacking energy: -65.298 Base-Backbone interact. energy: -0.232 local terms energy: -68.594174 where: bonds (distance) C4'-P energy: -11.269 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -15.138 flat angles P-C4'-P energy: -10.415 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: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -208.311176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.311176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.311176 (E_RNA) where: Base-Base interactions energy: -148.285 where: short stacking energy: -66.315 Base-Backbone interact. energy: -0.168 local terms energy: -59.858428 where: bonds (distance) C4'-P energy: -8.222 bonds (distance) P-C4' energy: -16.073 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -17.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -195.082876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.082876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.082876 (E_RNA) where: Base-Base interactions energy: -132.087 where: short stacking energy: -57.402 Base-Backbone interact. energy: -0.435 local terms energy: -62.560310 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -10.765 flat angles C4'-P-C4' energy: -15.023 flat angles P-C4'-P energy: -5.865 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: 6, replica: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -174.747304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.747304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.747304 (E_RNA) where: Base-Base interactions energy: -110.589 where: short stacking energy: -53.608 Base-Backbone interact. energy: -0.113 local terms energy: -64.045681 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -14.266 flat angles P-C4'-P energy: -9.637 tors. eta vs tors. theta energy: -13.146 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: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -197.413968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.413968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.413968 (E_RNA) where: Base-Base interactions energy: -136.229 where: short stacking energy: -52.240 Base-Backbone interact. energy: -0.434 local terms energy: -60.750350 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -10.600 flat angles C4'-P-C4' energy: -15.459 flat angles P-C4'-P energy: -9.349 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: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -114.737421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.737421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.737421 (E_RNA) where: Base-Base interactions energy: -66.241 where: short stacking energy: -36.083 Base-Backbone interact. energy: -0.144 local terms energy: -48.352453 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -5.689 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: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -88.349468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.349468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.349468 (E_RNA) where: Base-Base interactions energy: -32.784 where: short stacking energy: -32.784 Base-Backbone interact. energy: 1.022 local terms energy: -56.587347 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -11.225 flat angles P-C4'-P energy: -8.119 tors. eta vs tors. theta energy: -9.853 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: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -101.321196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.321196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.321196 (E_RNA) where: Base-Base interactions energy: -56.301 where: short stacking energy: -31.482 Base-Backbone interact. energy: 0.668 local terms energy: -45.688169 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -9.631 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -2.848 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: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -220.976911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.976911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.976911 (E_RNA) where: Base-Base interactions energy: -145.145 where: short stacking energy: -60.896 Base-Backbone interact. energy: -0.683 local terms energy: -75.149154 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -14.592 flat angles P-C4'-P energy: -12.816 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: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -222.189154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.189154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.189154 (E_RNA) where: Base-Base interactions energy: -154.135 where: short stacking energy: -67.893 Base-Backbone interact. energy: -0.004 local terms energy: -68.050627 where: bonds (distance) C4'-P energy: -16.771 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -17.332 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: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -205.595186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.595186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.595186 (E_RNA) where: Base-Base interactions energy: -144.100 where: short stacking energy: -66.481 Base-Backbone interact. energy: -0.003 local terms energy: -61.492407 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -19.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -211.296130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.296130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.296130 (E_RNA) where: Base-Base interactions energy: -146.977 where: short stacking energy: -66.175 Base-Backbone interact. energy: -0.596 local terms energy: -63.722332 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -8.120 tors. eta vs tors. theta energy: -16.660 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: 9 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -194.065617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.065617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.065617 (E_RNA) where: Base-Base interactions energy: -128.437 where: short stacking energy: -51.859 Base-Backbone interact. energy: -0.580 local terms energy: -65.048609 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -10.628 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: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -196.342181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.342181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.342181 (E_RNA) where: Base-Base interactions energy: -129.686 where: short stacking energy: -60.134 Base-Backbone interact. energy: 0.812 local terms energy: -67.468292 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -16.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -197.004684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.004684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.004684 (E_RNA) where: Base-Base interactions energy: -139.675 where: short stacking energy: -58.723 Base-Backbone interact. energy: -0.299 local terms energy: -57.030990 where: bonds (distance) C4'-P energy: -12.018 bonds (distance) P-C4' energy: -9.361 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -15.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -120.310783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.310783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.310783 (E_RNA) where: Base-Base interactions energy: -70.011 where: short stacking energy: -39.549 Base-Backbone interact. energy: 0.332 local terms energy: -50.631322 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -9.230 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: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -83.413987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.413987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.413987 (E_RNA) where: Base-Base interactions energy: -37.917 where: short stacking energy: -29.851 Base-Backbone interact. energy: 0.256 local terms energy: -45.753302 where: bonds (distance) C4'-P energy: -13.356 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -11.144 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -67.257141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.257141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.257141 (E_RNA) where: Base-Base interactions energy: -24.429 where: short stacking energy: -24.429 Base-Backbone interact. energy: -0.140 local terms energy: -42.687574 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -224.763515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.763515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.763515 (E_RNA) where: Base-Base interactions energy: -151.274 where: short stacking energy: -64.198 Base-Backbone interact. energy: -0.221 local terms energy: -73.268725 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -15.847 flat angles P-C4'-P energy: -10.986 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: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -209.610302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.610302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.610302 (E_RNA) where: Base-Base interactions energy: -146.909 where: short stacking energy: -59.930 Base-Backbone interact. energy: -0.767 local terms energy: -61.933758 where: bonds (distance) C4'-P energy: -9.587 bonds (distance) P-C4' energy: -15.673 flat angles C4'-P-C4' energy: -13.572 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -17.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -206.990295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.990295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.990295 (E_RNA) where: Base-Base interactions energy: -141.029 where: short stacking energy: -57.282 Base-Backbone interact. energy: -1.136 local terms energy: -64.825049 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -16.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -208.327640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.327640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.327640 (E_RNA) where: Base-Base interactions energy: -146.175 where: short stacking energy: -60.220 Base-Backbone interact. energy: -0.087 local terms energy: -62.065872 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -10.268 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -19.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -208.733591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.733591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.733591 (E_RNA) where: Base-Base interactions energy: -142.784 where: short stacking energy: -59.935 Base-Backbone interact. energy: -0.127 local terms energy: -65.821757 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -10.026 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: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -200.241774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.241774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.241774 (E_RNA) where: Base-Base interactions energy: -143.080 where: short stacking energy: -55.352 Base-Backbone interact. energy: -0.299 local terms energy: -56.862370 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -10.859 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -12.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -184.571159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.571159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.571159 (E_RNA) where: Base-Base interactions energy: -122.223 where: short stacking energy: -51.641 Base-Backbone interact. energy: -0.340 local terms energy: -62.008397 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -123.110696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.110696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.110696 (E_RNA) where: Base-Base interactions energy: -71.614 where: short stacking energy: -41.255 Base-Backbone interact. energy: -0.315 local terms energy: -51.182172 where: bonds (distance) C4'-P energy: -10.221 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -13.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -88.489895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.489895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.489895 (E_RNA) where: Base-Base interactions energy: -40.820 where: short stacking energy: -21.180 Base-Backbone interact. energy: -0.035 local terms energy: -47.635137 where: bonds (distance) C4'-P energy: -11.397 bonds (distance) P-C4' energy: -10.382 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -72.508097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.508097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.508097 (E_RNA) where: Base-Base interactions energy: -22.213 where: short stacking energy: -22.213 Base-Backbone interact. energy: -0.068 local terms energy: -50.226595 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -16.202 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -222.491892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.491892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.491892 (E_RNA) where: Base-Base interactions energy: -149.571 where: short stacking energy: -66.969 Base-Backbone interact. energy: -0.365 local terms energy: -72.556569 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -17.173 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -20.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -215.686794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.686794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.686794 (E_RNA) where: Base-Base interactions energy: -143.799 where: short stacking energy: -61.496 Base-Backbone interact. energy: -0.528 local terms energy: -71.359141 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -11.339 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: 3, replica: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -215.804329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.804329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.804329 (E_RNA) where: Base-Base interactions energy: -141.539 where: short stacking energy: -69.467 Base-Backbone interact. energy: -0.005 local terms energy: -74.260320 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -13.500 tors. eta vs tors. theta energy: -20.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -192.311741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.311741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.311741 (E_RNA) where: Base-Base interactions energy: -122.661 where: short stacking energy: -53.774 Base-Backbone interact. energy: -0.009 local terms energy: -69.642501 where: bonds (distance) C4'-P energy: -12.502 bonds (distance) P-C4' energy: -15.263 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -10.603 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: 5, replica: 5 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -203.745968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.745968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.745968 (E_RNA) where: Base-Base interactions energy: -136.424 where: short stacking energy: -60.724 Base-Backbone interact. energy: -0.101 local terms energy: -67.220524 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -17.985 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -15.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -193.277313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.277313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.277313 (E_RNA) where: Base-Base interactions energy: -132.522 where: short stacking energy: -51.249 Base-Backbone interact. energy: -0.104 local terms energy: -60.651440 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -7.775 tors. eta vs tors. theta energy: -10.390 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: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -187.600286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.600286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.600286 (E_RNA) where: Base-Base interactions energy: -121.539 where: short stacking energy: -52.750 Base-Backbone interact. energy: -0.350 local terms energy: -65.711095 where: bonds (distance) C4'-P energy: -10.777 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -15.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -81.040310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.040310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.040310 (E_RNA) where: Base-Base interactions energy: -34.301 where: short stacking energy: -31.738 Base-Backbone interact. energy: 0.886 local terms energy: -47.625059 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -10.869 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -6.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -105.813631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.813631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.813631 (E_RNA) where: Base-Base interactions energy: -56.293 where: short stacking energy: -27.844 Base-Backbone interact. energy: 0.752 local terms energy: -50.272597 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -9.372 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: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -68.812400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.812400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.812400 (E_RNA) where: Base-Base interactions energy: -26.484 where: short stacking energy: -25.489 Base-Backbone interact. energy: -0.095 local terms energy: -42.233418 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -3.006 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -0.437 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: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -223.364097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.364097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.364097 (E_RNA) where: Base-Base interactions energy: -155.159 where: short stacking energy: -69.595 Base-Backbone interact. energy: -0.042 local terms energy: -68.162890 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -13.276 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -16.605 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: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -217.005302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.005302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.005302 (E_RNA) where: Base-Base interactions energy: -144.348 where: short stacking energy: -62.513 Base-Backbone interact. energy: -0.016 local terms energy: -72.641079 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -14.573 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -19.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -218.898389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.898389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.898389 (E_RNA) where: Base-Base interactions energy: -153.663 where: short stacking energy: -70.727 Base-Backbone interact. energy: -0.028 local terms energy: -65.206771 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -10.011 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: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -216.201249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.201249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.201249 (E_RNA) where: Base-Base interactions energy: -144.969 where: short stacking energy: -64.236 Base-Backbone interact. energy: -0.685 local terms energy: -70.547656 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -9.398 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: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -200.880763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.880763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.880763 (E_RNA) where: Base-Base interactions energy: -131.709 where: short stacking energy: -58.888 Base-Backbone interact. energy: -0.001 local terms energy: -69.170953 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -9.852 tors. eta vs tors. theta energy: -17.963 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: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -192.929337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.929337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.929337 (E_RNA) where: Base-Base interactions energy: -133.893 where: short stacking energy: -52.208 Base-Backbone interact. energy: -0.110 local terms energy: -58.925896 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -10.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -187.490578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.490578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.490578 (E_RNA) where: Base-Base interactions energy: -122.502 where: short stacking energy: -55.967 Base-Backbone interact. energy: -0.087 local terms energy: -64.901758 where: bonds (distance) C4'-P energy: -14.780 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -8.839 tors. eta vs tors. theta energy: -14.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -81.972408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.972408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.972408 (E_RNA) where: Base-Base interactions energy: -27.447 where: short stacking energy: -26.167 Base-Backbone interact. energy: -0.385 local terms energy: -54.141061 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -4.850 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: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -80.963593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.963593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.963593 (E_RNA) where: Base-Base interactions energy: -39.567 where: short stacking energy: -39.567 Base-Backbone interact. energy: -0.024 local terms energy: -41.372970 where: bonds (distance) C4'-P energy: -9.772 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -1.224 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -75.354572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.354572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.354572 (E_RNA) where: Base-Base interactions energy: -29.232 where: short stacking energy: -25.027 Base-Backbone interact. energy: -0.005 local terms energy: -46.117054 where: bonds (distance) C4'-P energy: -11.183 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -220.293163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.293163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.293163 (E_RNA) where: Base-Base interactions energy: -147.561 where: short stacking energy: -65.899 Base-Backbone interact. energy: -0.157 local terms energy: -72.575379 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -8.207 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: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -215.595208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.595208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.595208 (E_RNA) where: Base-Base interactions energy: -141.627 where: short stacking energy: -65.298 Base-Backbone interact. energy: -0.000 local terms energy: -73.967289 where: bonds (distance) C4'-P energy: -14.095 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -7.773 tors. eta vs tors. theta energy: -20.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -218.787520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.787520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.787520 (E_RNA) where: Base-Base interactions energy: -149.600 where: short stacking energy: -68.766 Base-Backbone interact. energy: -0.100 local terms energy: -69.088026 where: bonds (distance) C4'-P energy: -12.794 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -9.428 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: 4, replica: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -209.854537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.854537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.854537 (E_RNA) where: Base-Base interactions energy: -144.848 where: short stacking energy: -61.314 Base-Backbone interact. energy: -0.009 local terms energy: -64.997823 where: bonds (distance) C4'-P energy: -9.546 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -10.774 flat angles P-C4'-P energy: -12.975 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: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -201.328449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.328449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.328449 (E_RNA) where: Base-Base interactions energy: -135.784 where: short stacking energy: -62.939 Base-Backbone interact. energy: -0.283 local terms energy: -65.260762 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -11.218 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -17.463 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: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -197.436276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.436276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.436276 (E_RNA) where: Base-Base interactions energy: -130.754 where: short stacking energy: -58.933 Base-Backbone interact. energy: -0.007 local terms energy: -66.675549 where: bonds (distance) C4'-P energy: -11.913 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -8.666 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: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -194.496668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.496668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.496668 (E_RNA) where: Base-Base interactions energy: -131.642 where: short stacking energy: -56.113 Base-Backbone interact. energy: -0.207 local terms energy: -62.648254 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -17.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -84.539376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.539376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.539376 (E_RNA) where: Base-Base interactions energy: -36.452 where: short stacking energy: -36.452 Base-Backbone interact. energy: -0.443 local terms energy: -47.644358 where: bonds (distance) C4'-P energy: -8.999 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -8.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -81.479511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.479511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.479511 (E_RNA) where: Base-Base interactions energy: -31.176 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.133 local terms energy: -50.171266 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -11.416 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -69.560194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.560194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.560194 (E_RNA) where: Base-Base interactions energy: -23.882 where: short stacking energy: -23.882 Base-Backbone interact. energy: -0.009 local terms energy: -45.669284 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -11.490 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -3.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -226.404836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.404836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.404836 (E_RNA) where: Base-Base interactions energy: -149.914 where: short stacking energy: -67.389 Base-Backbone interact. energy: -0.446 local terms energy: -76.045038 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -17.178 flat angles P-C4'-P energy: -11.246 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: 2, replica: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -221.933673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.933673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.933673 (E_RNA) where: Base-Base interactions energy: -150.498 where: short stacking energy: -68.132 Base-Backbone interact. energy: 0.035 local terms energy: -71.470744 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -10.058 tors. eta vs tors. theta energy: -19.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -220.025538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.025538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.025538 (E_RNA) where: Base-Base interactions energy: -152.584 where: short stacking energy: -70.901 Base-Backbone interact. energy: -0.576 local terms energy: -66.866113 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -20.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -204.541051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.541051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.541051 (E_RNA) where: Base-Base interactions energy: -133.483 where: short stacking energy: -62.052 Base-Backbone interact. energy: 0.153 local terms energy: -71.210615 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -14.362 flat angles C4'-P-C4' energy: -16.160 flat angles P-C4'-P energy: -8.258 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: 5, replica: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -207.186557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.186557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.186557 (E_RNA) where: Base-Base interactions energy: -149.598 where: short stacking energy: -70.524 Base-Backbone interact. energy: 0.152 local terms energy: -57.740222 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -8.651 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: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -187.177324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.177324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.177324 (E_RNA) where: Base-Base interactions energy: -127.481 where: short stacking energy: -54.929 Base-Backbone interact. energy: -0.007 local terms energy: -59.689263 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -14.030 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -5.142 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: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -191.725236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.725236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.725236 (E_RNA) where: Base-Base interactions energy: -134.190 where: short stacking energy: -56.273 Base-Backbone interact. energy: -0.106 local terms energy: -57.428533 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -16.598 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -9.473 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: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -83.753191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.753191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.753191 (E_RNA) where: Base-Base interactions energy: -37.451 where: short stacking energy: -33.292 Base-Backbone interact. energy: -0.112 local terms energy: -46.190154 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: -3.506 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: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -87.188606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.188606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.188606 (E_RNA) where: Base-Base interactions energy: -37.659 where: short stacking energy: -37.659 Base-Backbone interact. energy: 3.803 local terms energy: -53.332605 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -4.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -81.138463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.138463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.138463 (E_RNA) where: Base-Base interactions energy: -34.692 where: short stacking energy: -31.717 Base-Backbone interact. energy: -0.004 local terms energy: -46.442107 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -10.418 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -7.848 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: 70 Temperature: 0.900000 Total energy: -231.702150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.702150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.702150 (E_RNA) where: Base-Base interactions energy: -151.223 where: short stacking energy: -71.648 Base-Backbone interact. energy: -2.164 local terms energy: -78.315289 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -17.118 flat angles P-C4'-P energy: -12.260 tors. eta vs tors. theta energy: -21.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -222.772573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.772573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.772573 (E_RNA) where: Base-Base interactions energy: -150.952 where: short stacking energy: -68.182 Base-Backbone interact. energy: -0.751 local terms energy: -71.069443 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -21.476 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: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -223.063821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.063821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.063821 (E_RNA) where: Base-Base interactions energy: -151.682 where: short stacking energy: -68.329 Base-Backbone interact. energy: 0.457 local terms energy: -71.838729 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -16.641 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -18.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -203.397813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.397813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.397813 (E_RNA) where: Base-Base interactions energy: -133.425 where: short stacking energy: -59.849 Base-Backbone interact. energy: -0.233 local terms energy: -69.739465 where: bonds (distance) C4'-P energy: -13.604 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -12.542 tors. eta vs tors. theta energy: -17.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -200.075902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.075902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.075902 (E_RNA) where: Base-Base interactions energy: -136.868 where: short stacking energy: -55.580 Base-Backbone interact. energy: -0.012 local terms energy: -63.195394 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -11.716 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -15.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -172.154942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.154942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.154942 (E_RNA) where: Base-Base interactions energy: -119.974 where: short stacking energy: -49.842 Base-Backbone interact. energy: -0.144 local terms energy: -52.036739 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -11.414 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -9.080 tors. eta vs tors. theta energy: -9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -194.121187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.121187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.121187 (E_RNA) where: Base-Base interactions energy: -137.511 where: short stacking energy: -61.195 Base-Backbone interact. energy: -0.075 local terms energy: -56.535080 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -9.245 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -15.664 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: 8, replica: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -90.527226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.527226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.527226 (E_RNA) where: Base-Base interactions energy: -34.302 where: short stacking energy: -23.808 Base-Backbone interact. energy: -0.085 local terms energy: -56.140350 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -9.469 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -11.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -77.815933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.815933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.815933 (E_RNA) where: Base-Base interactions energy: -32.830 where: short stacking energy: -32.830 Base-Backbone interact. energy: -0.145 local terms energy: -44.841191 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -9.913 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -8.277 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: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -71.906140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.906140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.906140 (E_RNA) where: Base-Base interactions energy: -30.408 where: short stacking energy: -25.474 Base-Backbone interact. energy: -0.073 local terms energy: -41.424927 where: bonds (distance) C4'-P energy: -9.832 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -7.423 tors. eta vs tors. theta energy: -6.644 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: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -221.567602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.567602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.567602 (E_RNA) where: Base-Base interactions energy: -148.676 where: short stacking energy: -67.351 Base-Backbone interact. energy: -0.321 local terms energy: -72.571360 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -17.897 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: 71 Temperature: 0.950000 Total energy: -221.639924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.639924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.639924 (E_RNA) where: Base-Base interactions energy: -144.306 where: short stacking energy: -63.929 Base-Backbone interact. energy: -0.009 local terms energy: -77.324815 where: bonds (distance) C4'-P energy: -16.299 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -20.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -215.197805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.197805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.197805 (E_RNA) where: Base-Base interactions energy: -143.073 where: short stacking energy: -59.561 Base-Backbone interact. energy: -0.036 local terms energy: -72.089182 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -15.574 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -214.103657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.103657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.103657 (E_RNA) where: Base-Base interactions energy: -149.814 where: short stacking energy: -64.211 Base-Backbone interact. energy: -0.005 local terms energy: -64.284691 where: bonds (distance) C4'-P energy: -10.654 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -18.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -203.344885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.344885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.344885 (E_RNA) where: Base-Base interactions energy: -133.826 where: short stacking energy: -57.385 Base-Backbone interact. energy: -0.208 local terms energy: -69.311124 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -13.896 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -12.175 tors. eta vs tors. theta energy: -17.604 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: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -199.396014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.396014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.396014 (E_RNA) where: Base-Base interactions energy: -133.914 where: short stacking energy: -47.078 Base-Backbone interact. energy: -0.434 local terms energy: -65.048070 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -12.883 tors. eta vs tors. theta energy: -7.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -194.786943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.786943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.786943 (E_RNA) where: Base-Base interactions energy: -133.345 where: short stacking energy: -59.689 Base-Backbone interact. energy: -0.106 local terms energy: -61.336235 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -10.895 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -18.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -72.818601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.818601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.818601 (E_RNA) where: Base-Base interactions energy: -27.861 where: short stacking energy: -27.861 Base-Backbone interact. energy: -0.016 local terms energy: -44.941374 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -10.148 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -8.766 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: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -79.019090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.019090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.019090 (E_RNA) where: Base-Base interactions energy: -37.950 where: short stacking energy: -22.557 Base-Backbone interact. energy: 0.167 local terms energy: -41.236689 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -83.870873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.870873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.870873 (E_RNA) where: Base-Base interactions energy: -40.852 where: short stacking energy: -27.211 Base-Backbone interact. energy: 0.507 local terms energy: -43.525843 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -12.559 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -3.016 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: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -226.770929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.770929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.770929 (E_RNA) where: Base-Base interactions energy: -156.746 where: short stacking energy: -71.136 Base-Backbone interact. energy: -0.003 local terms energy: -70.022433 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -12.724 flat angles C4'-P-C4' energy: -15.430 flat angles P-C4'-P energy: -11.023 tors. eta vs tors. theta energy: -20.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -216.624609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.624609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.624609 (E_RNA) where: Base-Base interactions energy: -143.256 where: short stacking energy: -60.956 Base-Backbone interact. energy: -0.340 local terms energy: -73.028262 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -15.245 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -11.090 tors. eta vs tors. theta energy: -17.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -216.202005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.202005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.202005 (E_RNA) where: Base-Base interactions energy: -150.403 where: short stacking energy: -65.751 Base-Backbone interact. energy: -0.051 local terms energy: -65.747666 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -10.070 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: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -209.522566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.522566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.522566 (E_RNA) where: Base-Base interactions energy: -146.374 where: short stacking energy: -61.370 Base-Backbone interact. energy: -0.114 local terms energy: -63.034579 where: bonds (distance) C4'-P energy: -9.866 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -12.418 tors. eta vs tors. theta energy: -17.499 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: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -203.470422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.470422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.470422 (E_RNA) where: Base-Base interactions energy: -141.749 where: short stacking energy: -54.327 Base-Backbone interact. energy: -0.100 local terms energy: -61.621157 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -11.786 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -11.203 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: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -190.676573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.676573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.676573 (E_RNA) where: Base-Base interactions energy: -136.497 where: short stacking energy: -63.641 Base-Backbone interact. energy: -0.046 local terms energy: -54.133751 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -4.814 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: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -185.895008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.895008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.895008 (E_RNA) where: Base-Base interactions energy: -121.796 where: short stacking energy: -57.662 Base-Backbone interact. energy: -0.024 local terms energy: -64.074120 where: bonds (distance) C4'-P energy: -13.732 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -83.782944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.782944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.782944 (E_RNA) where: Base-Base interactions energy: -37.052 where: short stacking energy: -31.294 Base-Backbone interact. energy: 0.563 local terms energy: -47.293335 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -10.299 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -3.991 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: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -76.493013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.493013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.493013 (E_RNA) where: Base-Base interactions energy: -25.006 where: short stacking energy: -24.899 Base-Backbone interact. energy: -0.261 local terms energy: -51.225701 where: bonds (distance) C4'-P energy: -10.813 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -2.678 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: 6 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -79.103513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.103513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.103513 (E_RNA) where: Base-Base interactions energy: -35.061 where: short stacking energy: -35.061 Base-Backbone interact. energy: -0.209 local terms energy: -43.833712 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -10.171 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -223.358185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.358185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.358185 (E_RNA) where: Base-Base interactions energy: -154.512 where: short stacking energy: -70.200 Base-Backbone interact. energy: 2.536 local terms energy: -71.382221 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -11.533 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: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -222.394915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.394915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.394915 (E_RNA) where: Base-Base interactions energy: -149.766 where: short stacking energy: -68.788 Base-Backbone interact. energy: -0.588 local terms energy: -72.040911 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -11.131 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: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -216.056617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.056617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.056617 (E_RNA) where: Base-Base interactions energy: -145.447 where: short stacking energy: -64.937 Base-Backbone interact. energy: -0.006 local terms energy: -70.603835 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -16.024 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -19.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -201.929543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.929543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.929543 (E_RNA) where: Base-Base interactions energy: -141.257 where: short stacking energy: -58.586 Base-Backbone interact. energy: -0.120 local terms energy: -60.552484 where: bonds (distance) C4'-P energy: -8.736 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -14.725 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: 5, replica: 9 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -208.700145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.700145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.700145 (E_RNA) where: Base-Base interactions energy: -143.411 where: short stacking energy: -60.611 Base-Backbone interact. energy: -0.425 local terms energy: -64.864799 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -18.660 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: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -190.778187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.778187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.778187 (E_RNA) where: Base-Base interactions energy: -131.070 where: short stacking energy: -58.843 Base-Backbone interact. energy: -0.034 local terms energy: -59.674156 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -15.027 flat angles C4'-P-C4' energy: -16.575 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -12.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -183.042145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.042145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.042145 (E_RNA) where: Base-Base interactions energy: -121.868 where: short stacking energy: -53.751 Base-Backbone interact. energy: -0.866 local terms energy: -60.308645 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -8.972 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: 73 Temperature: 1.250000 Total energy: -80.829649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.829649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.829649 (E_RNA) where: Base-Base interactions energy: -32.400 where: short stacking energy: -24.553 Base-Backbone interact. energy: -1.224 local terms energy: -47.205540 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -10.231 flat angles C4'-P-C4' energy: -12.416 flat angles P-C4'-P energy: -6.852 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -79.928092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.928092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.928092 (E_RNA) where: Base-Base interactions energy: -33.402 where: short stacking energy: -24.399 Base-Backbone interact. energy: -0.042 local terms energy: -46.484244 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -12.001 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -71.557830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.557830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.557830 (E_RNA) where: Base-Base interactions energy: -28.578 where: short stacking energy: -28.578 Base-Backbone interact. energy: -0.031 local terms energy: -42.949141 where: bonds (distance) C4'-P energy: -14.604 bonds (distance) P-C4' energy: -12.555 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -0.437 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -225.383666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.383666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.383666 (E_RNA) where: Base-Base interactions energy: -155.604 where: short stacking energy: -71.957 Base-Backbone interact. energy: -0.025 local terms energy: -69.754850 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -18.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -221.692898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.692898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.692898 (E_RNA) where: Base-Base interactions energy: -147.668 where: short stacking energy: -63.023 Base-Backbone interact. energy: -0.306 local terms energy: -73.718795 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -9.650 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: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -209.460153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.460153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.460153 (E_RNA) where: Base-Base interactions energy: -149.562 where: short stacking energy: -63.534 Base-Backbone interact. energy: -0.107 local terms energy: -59.791110 where: bonds (distance) C4'-P energy: -10.361 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -12.733 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: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -210.652365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.652365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.652365 (E_RNA) where: Base-Base interactions energy: -143.207 where: short stacking energy: -59.818 Base-Backbone interact. energy: -0.255 local terms energy: -67.190481 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -7.340 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: 5, replica: 9 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -210.765611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.765611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.765611 (E_RNA) where: Base-Base interactions energy: -144.880 where: short stacking energy: -60.039 Base-Backbone interact. energy: -0.004 local terms energy: -65.881323 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -11.199 tors. eta vs tors. theta energy: -15.598 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: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -197.790867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.790867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.790867 (E_RNA) where: Base-Base interactions energy: -132.171 where: short stacking energy: -58.902 Base-Backbone interact. energy: -0.024 local terms energy: -65.596249 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -9.573 flat angles P-C4'-P energy: -9.173 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: 7, replica: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -189.160820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.160820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.160820 (E_RNA) where: Base-Base interactions energy: -131.722 where: short stacking energy: -55.622 Base-Backbone interact. energy: -0.063 local terms energy: -57.376002 where: bonds (distance) C4'-P energy: -9.662 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -9.747 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -14.778 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: 8, replica: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -78.308920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.308920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.308920 (E_RNA) where: Base-Base interactions energy: -31.528 where: short stacking energy: -27.286 Base-Backbone interact. energy: -0.125 local terms energy: -46.656538 where: bonds (distance) C4'-P energy: -8.657 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -11.888 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -3.414 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: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -84.559396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.559396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.559396 (E_RNA) where: Base-Base interactions energy: -38.441 where: short stacking energy: -35.512 Base-Backbone interact. energy: -0.007 local terms energy: -46.111742 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -5.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -71.285008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.285008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.285008 (E_RNA) where: Base-Base interactions energy: -30.732 where: short stacking energy: -30.732 Base-Backbone interact. energy: -0.113 local terms energy: -40.440124 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -9.678 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -221.036756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.036756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.036756 (E_RNA) where: Base-Base interactions energy: -155.497 where: short stacking energy: -62.799 Base-Backbone interact. energy: -0.455 local terms energy: -65.084615 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -13.330 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -11.280 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: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -216.889835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.889835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.889835 (E_RNA) where: Base-Base interactions energy: -148.898 where: short stacking energy: -64.315 Base-Backbone interact. energy: -0.190 local terms energy: -67.801278 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -8.908 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: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -213.739863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.739863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.739863 (E_RNA) where: Base-Base interactions energy: -151.105 where: short stacking energy: -64.405 Base-Backbone interact. energy: -0.164 local terms energy: -62.470563 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -8.182 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: 4, replica: 9 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -215.686046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.686046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.686046 (E_RNA) where: Base-Base interactions energy: -144.008 where: short stacking energy: -58.570 Base-Backbone interact. energy: -0.001 local terms energy: -71.677139 where: bonds (distance) C4'-P energy: -12.102 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -12.668 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: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -209.463047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.463047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.463047 (E_RNA) where: Base-Base interactions energy: -142.550 where: short stacking energy: -57.718 Base-Backbone interact. energy: -0.231 local terms energy: -66.682638 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -15.596 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: 6, replica: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -170.852157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.852157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.852157 (E_RNA) where: Base-Base interactions energy: -111.184 where: short stacking energy: -52.657 Base-Backbone interact. energy: -0.000 local terms energy: -59.667815 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -15.693 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: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -194.645999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.645999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.645999 (E_RNA) where: Base-Base interactions energy: -124.655 where: short stacking energy: -54.413 Base-Backbone interact. energy: -0.748 local terms energy: -69.242663 where: bonds (distance) C4'-P energy: -12.487 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.819 flat angles P-C4'-P energy: -11.303 tors. eta vs tors. theta energy: -18.444 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: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -80.713334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.713334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.713334 (E_RNA) where: Base-Base interactions energy: -28.627 where: short stacking energy: -28.627 Base-Backbone interact. energy: -0.051 local terms energy: -52.034742 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -80.147998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.147998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.147998 (E_RNA) where: Base-Base interactions energy: -32.185 where: short stacking energy: -31.129 Base-Backbone interact. energy: -0.149 local terms energy: -47.813800 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -11.453 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -3.475 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: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -70.728886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.728886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.728886 (E_RNA) where: Base-Base interactions energy: -28.474 where: short stacking energy: -20.696 Base-Backbone interact. energy: 0.704 local terms energy: -42.958837 where: bonds (distance) C4'-P energy: -8.063 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -10.949 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -227.441508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.441508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.441508 (E_RNA) where: Base-Base interactions energy: -156.237 where: short stacking energy: -66.868 Base-Backbone interact. energy: -0.129 local terms energy: -71.075190 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -15.359 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -16.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -218.124752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.124752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.124752 (E_RNA) where: Base-Base interactions energy: -145.814 where: short stacking energy: -66.036 Base-Backbone interact. energy: -0.004 local terms energy: -72.307231 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -20.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -214.063323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.063323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.063323 (E_RNA) where: Base-Base interactions energy: -141.944 where: short stacking energy: -63.680 Base-Backbone interact. energy: 0.409 local terms energy: -72.528063 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -12.851 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: 4, replica: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -205.174473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.174473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.174473 (E_RNA) where: Base-Base interactions energy: -144.869 where: short stacking energy: -59.224 Base-Backbone interact. energy: -0.138 local terms energy: -60.166970 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -10.811 flat angles P-C4'-P energy: -6.586 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: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -202.819261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.819261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.819261 (E_RNA) where: Base-Base interactions energy: -142.319 where: short stacking energy: -60.609 Base-Backbone interact. energy: -0.267 local terms energy: -60.233305 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -9.829 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -17.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -167.125199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.125199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.125199 (E_RNA) where: Base-Base interactions energy: -106.323 where: short stacking energy: -50.841 Base-Backbone interact. energy: -0.164 local terms energy: -60.638659 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -10.909 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -12.750 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: 4 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -187.602649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.602649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.602649 (E_RNA) where: Base-Base interactions energy: -126.113 where: short stacking energy: -59.789 Base-Backbone interact. energy: -0.080 local terms energy: -61.409132 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -16.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -81.586179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.586179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.586179 (E_RNA) where: Base-Base interactions energy: -26.938 where: short stacking energy: -26.938 Base-Backbone interact. energy: -0.077 local terms energy: -54.570363 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -9.818 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -75.994832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.994832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.994832 (E_RNA) where: Base-Base interactions energy: -36.577 where: short stacking energy: -36.577 Base-Backbone interact. energy: -0.048 local terms energy: -39.369850 where: bonds (distance) C4'-P energy: -8.480 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -8.672 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -67.045237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.045237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.045237 (E_RNA) where: Base-Base interactions energy: -22.465 where: short stacking energy: -22.465 Base-Backbone interact. energy: -0.116 local terms energy: -44.464206 where: bonds (distance) C4'-P energy: -9.949 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -221.973802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.973802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.973802 (E_RNA) where: Base-Base interactions energy: -154.333 where: short stacking energy: -65.483 Base-Backbone interact. energy: -0.109 local terms energy: -67.531699 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -12.859 tors. eta vs tors. theta energy: -18.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -216.127283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.127283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.127283 (E_RNA) where: Base-Base interactions energy: -145.092 where: short stacking energy: -60.841 Base-Backbone interact. energy: -1.165 local terms energy: -69.870191 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -16.610 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: 5 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -216.697429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.697429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.697429 (E_RNA) where: Base-Base interactions energy: -149.487 where: short stacking energy: -63.153 Base-Backbone interact. energy: -0.241 local terms energy: -66.969340 where: bonds (distance) C4'-P energy: -13.579 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -6.423 tors. eta vs tors. theta energy: -18.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -211.320822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.320822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.320822 (E_RNA) where: Base-Base interactions energy: -146.192 where: short stacking energy: -58.104 Base-Backbone interact. energy: -0.110 local terms energy: -65.018499 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -11.378 tors. eta vs tors. theta energy: -14.056 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: 5, replica: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -208.809303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.809303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.809303 (E_RNA) where: Base-Base interactions energy: -137.385 where: short stacking energy: -64.680 Base-Backbone interact. energy: -0.172 local terms energy: -71.252346 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -15.879 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -18.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -184.096044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.096044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.096044 (E_RNA) where: Base-Base interactions energy: -122.401 where: short stacking energy: -47.644 Base-Backbone interact. energy: -0.103 local terms energy: -61.592699 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -11.452 flat angles C4'-P-C4' energy: -16.861 flat angles P-C4'-P energy: -9.987 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: 7, replica: 1 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -163.113932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.113932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.113932 (E_RNA) where: Base-Base interactions energy: -108.062 where: short stacking energy: -43.246 Base-Backbone interact. energy: -0.008 local terms energy: -55.044219 where: bonds (distance) C4'-P energy: -11.319 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -13.154 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -11.739 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: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -80.088643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.088643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.088643 (E_RNA) where: Base-Base interactions energy: -34.965 where: short stacking energy: -35.813 Base-Backbone interact. energy: -1.395 local terms energy: -43.729139 where: bonds (distance) C4'-P energy: -10.872 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -6.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -72.770200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.770200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.770200 (E_RNA) where: Base-Base interactions energy: -29.371 where: short stacking energy: -26.422 Base-Backbone interact. energy: -0.096 local terms energy: -43.303003 where: bonds (distance) C4'-P energy: -9.287 bonds (distance) P-C4' energy: -14.763 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -10.437 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: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -69.461587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.461587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.461587 (E_RNA) where: Base-Base interactions energy: -21.129 where: short stacking energy: -21.129 Base-Backbone interact. energy: -0.073 local terms energy: -48.259925 where: bonds (distance) C4'-P energy: -14.436 bonds (distance) P-C4' energy: -12.252 flat angles C4'-P-C4' energy: -10.138 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -219.933618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.933618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.933618 (E_RNA) where: Base-Base interactions energy: -151.643 where: short stacking energy: -65.070 Base-Backbone interact. energy: -0.334 local terms energy: -67.957435 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -10.607 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -12.031 tors. eta vs tors. theta energy: -19.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -217.137546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.137546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.137546 (E_RNA) where: Base-Base interactions energy: -149.607 where: short stacking energy: -59.071 Base-Backbone interact. energy: -0.295 local terms energy: -67.234890 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -12.806 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -16.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -213.572847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.572847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.572847 (E_RNA) where: Base-Base interactions energy: -146.029 where: short stacking energy: -56.329 Base-Backbone interact. energy: -0.099 local terms energy: -67.444837 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -16.152 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -9.852 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: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -206.240671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.240671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.240671 (E_RNA) where: Base-Base interactions energy: -143.846 where: short stacking energy: -60.663 Base-Backbone interact. energy: -0.008 local terms energy: -62.386504 where: bonds (distance) C4'-P energy: -10.748 bonds (distance) P-C4' energy: -12.045 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -9.487 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: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -200.312435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.312435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.312435 (E_RNA) where: Base-Base interactions energy: -135.157 where: short stacking energy: -60.511 Base-Backbone interact. energy: -1.654 local terms energy: -63.501363 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -14.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -204.800301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.800301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.800301 (E_RNA) where: Base-Base interactions energy: -145.710 where: short stacking energy: -64.424 Base-Backbone interact. energy: -0.167 local terms energy: -58.924132 where: bonds (distance) C4'-P energy: -9.634 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -9.487 flat angles P-C4'-P energy: -6.640 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: 7, replica: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -169.867831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.867831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.867831 (E_RNA) where: Base-Base interactions energy: -107.598 where: short stacking energy: -60.326 Base-Backbone interact. energy: -0.014 local terms energy: -62.255232 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -11.600 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: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -81.276920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.276920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.276920 (E_RNA) where: Base-Base interactions energy: -30.141 where: short stacking energy: -24.968 Base-Backbone interact. energy: -0.128 local terms energy: -51.007902 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -5.170 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: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -70.158025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.158025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.158025 (E_RNA) where: Base-Base interactions energy: -33.668 where: short stacking energy: -33.668 Base-Backbone interact. energy: -0.058 local terms energy: -36.432540 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -11.080 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -2.009 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -69.458301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.458301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.458301 (E_RNA) where: Base-Base interactions energy: -26.935 where: short stacking energy: -22.291 Base-Backbone interact. energy: -0.064 local terms energy: -42.458503 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -10.157 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -9.107 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: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -224.787821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.787821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.787821 (E_RNA) where: Base-Base interactions energy: -153.784 where: short stacking energy: -66.442 Base-Backbone interact. energy: -0.045 local terms energy: -70.959112 where: bonds (distance) C4'-P energy: -12.916 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -15.675 flat angles P-C4'-P energy: -9.688 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: 2, replica: 9 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -220.751876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.751876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.751876 (E_RNA) where: Base-Base interactions energy: -150.669 where: short stacking energy: -63.233 Base-Backbone interact. energy: -0.056 local terms energy: -70.026925 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -17.250 flat angles P-C4'-P energy: -9.343 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: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -208.289275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.289275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.289275 (E_RNA) where: Base-Base interactions energy: -144.649 where: short stacking energy: -55.726 Base-Backbone interact. energy: -0.674 local terms energy: -62.966875 where: bonds (distance) C4'-P energy: -13.494 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -12.166 flat angles P-C4'-P energy: -11.296 tors. eta vs tors. theta energy: -9.911 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: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -220.266247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.266247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.266247 (E_RNA) where: Base-Base interactions energy: -147.304 where: short stacking energy: -67.639 Base-Backbone interact. energy: 0.078 local terms energy: -73.039711 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -11.028 tors. eta vs tors. theta energy: -18.671 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: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -211.461046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.461046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.461046 (E_RNA) where: Base-Base interactions energy: -138.936 where: short stacking energy: -56.896 Base-Backbone interact. energy: -0.217 local terms energy: -72.308364 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -15.071 flat angles C4'-P-C4' energy: -14.790 flat angles P-C4'-P energy: -11.811 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: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -201.467132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.467132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.467132 (E_RNA) where: Base-Base interactions energy: -141.261 where: short stacking energy: -62.390 Base-Backbone interact. energy: 0.285 local terms energy: -60.491458 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -7.236 flat angles C4'-P-C4' energy: -13.243 flat angles P-C4'-P energy: -9.631 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: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -186.749849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.749849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.749849 (E_RNA) where: Base-Base interactions energy: -130.322 where: short stacking energy: -55.056 Base-Backbone interact. energy: -0.060 local terms energy: -56.368477 where: bonds (distance) C4'-P energy: -4.879 bonds (distance) P-C4' energy: -12.350 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -13.459 tors. eta vs tors. theta energy: -14.241 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: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -93.291371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.291371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.291371 (E_RNA) where: Base-Base interactions energy: -43.355 where: short stacking energy: -39.903 Base-Backbone interact. energy: -0.000 local terms energy: -49.935628 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -8.649 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -12.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -78.881265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.881265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.881265 (E_RNA) where: Base-Base interactions energy: -34.158 where: short stacking energy: -30.091 Base-Backbone interact. energy: -0.124 local terms energy: -44.599567 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.387 flat angles P-C4'-P energy: -2.695 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -72.742754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.742754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.742754 (E_RNA) where: Base-Base interactions energy: -30.484 where: short stacking energy: -30.484 Base-Backbone interact. energy: -0.112 local terms energy: -42.147169 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -9.332 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -6.438 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: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -224.539078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.539078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.539078 (E_RNA) where: Base-Base interactions energy: -152.281 where: short stacking energy: -64.543 Base-Backbone interact. energy: -0.051 local terms energy: -72.207142 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -12.385 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -20.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -223.743492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.743492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.743492 (E_RNA) where: Base-Base interactions energy: -152.308 where: short stacking energy: -67.531 Base-Backbone interact. energy: -0.001 local terms energy: -71.434546 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -16.093 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -20.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -215.568710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.568710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.568710 (E_RNA) where: Base-Base interactions energy: -139.633 where: short stacking energy: -63.017 Base-Backbone interact. energy: -0.951 local terms energy: -74.984775 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -15.187 flat angles C4'-P-C4' energy: -16.690 flat angles P-C4'-P energy: -9.912 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: 4, replica: 2 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -209.534483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.534483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.534483 (E_RNA) where: Base-Base interactions energy: -147.680 where: short stacking energy: -63.093 Base-Backbone interact. energy: -0.291 local terms energy: -61.563463 where: bonds (distance) C4'-P energy: -12.664 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -14.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -206.073567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.073567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.073567 (E_RNA) where: Base-Base interactions energy: -141.324 where: short stacking energy: -59.125 Base-Backbone interact. energy: 0.295 local terms energy: -65.044700 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -12.367 flat angles P-C4'-P energy: -11.522 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: 6, replica: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -204.652534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.652534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.652534 (E_RNA) where: Base-Base interactions energy: -141.614 where: short stacking energy: -56.245 Base-Backbone interact. energy: -0.653 local terms energy: -62.384691 where: bonds (distance) C4'-P energy: -11.543 bonds (distance) P-C4' energy: -10.159 flat angles C4'-P-C4' energy: -11.507 flat angles P-C4'-P energy: -11.189 tors. eta vs tors. theta energy: -17.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -88.168324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.168324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.168324 (E_RNA) where: Base-Base interactions energy: -45.037 where: short stacking energy: -26.654 Base-Backbone interact. energy: 0.044 local terms energy: -43.175866 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -9.522 flat angles C4'-P-C4' energy: -14.438 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -194.952394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.952394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.952394 (E_RNA) where: Base-Base interactions energy: -132.630 where: short stacking energy: -64.870 Base-Backbone interact. energy: -0.027 local terms energy: -62.295149 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.950 flat angles P-C4'-P energy: -7.536 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: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -81.365024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.365024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.365024 (E_RNA) where: Base-Base interactions energy: -37.205 where: short stacking energy: -34.047 Base-Backbone interact. energy: -0.204 local terms energy: -43.955753 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -9.645 flat angles C4'-P-C4' energy: -9.914 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -70.371077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.371077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.371077 (E_RNA) where: Base-Base interactions energy: -30.217 where: short stacking energy: -25.562 Base-Backbone interact. energy: -0.093 local terms energy: -40.061764 where: bonds (distance) C4'-P energy: -11.074 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -7.621 tors. eta vs tors. theta energy: -3.005 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: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -222.016337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.016337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.016337 (E_RNA) where: Base-Base interactions energy: -147.114 where: short stacking energy: -65.772 Base-Backbone interact. energy: -0.005 local terms energy: -74.896471 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -10.782 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: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -215.760001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.760001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.760001 (E_RNA) where: Base-Base interactions energy: -145.102 where: short stacking energy: -63.768 Base-Backbone interact. energy: -0.038 local terms energy: -70.620149 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -15.159 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -19.274 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: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -215.950700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.950700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.950700 (E_RNA) where: Base-Base interactions energy: -147.862 where: short stacking energy: -65.013 Base-Backbone interact. energy: -0.038 local terms energy: -68.050876 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -9.623 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: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -209.288764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.288764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.288764 (E_RNA) where: Base-Base interactions energy: -147.728 where: short stacking energy: -65.155 Base-Backbone interact. energy: -0.019 local terms energy: -61.541564 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -8.490 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -18.725 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: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -200.593524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.593524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.593524 (E_RNA) where: Base-Base interactions energy: -141.049 where: short stacking energy: -53.074 Base-Backbone interact. energy: -0.181 local terms energy: -59.364183 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -10.397 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -12.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -199.696528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.696528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.696528 (E_RNA) where: Base-Base interactions energy: -133.296 where: short stacking energy: -55.459 Base-Backbone interact. energy: -0.416 local terms energy: -65.984132 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -12.580 flat angles C4'-P-C4' energy: -14.776 flat angles P-C4'-P energy: -10.081 tors. eta vs tors. theta energy: -14.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -89.444059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.444059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.444059 (E_RNA) where: Base-Base interactions energy: -34.149 where: short stacking energy: -31.496 Base-Backbone interact. energy: 0.343 local terms energy: -55.638102 where: bonds (distance) C4'-P energy: -13.062 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -167.180245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.180245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.180245 (E_RNA) where: Base-Base interactions energy: -106.965 where: short stacking energy: -44.433 Base-Backbone interact. energy: -0.489 local terms energy: -59.726100 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -9.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -75.022689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.022689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.022689 (E_RNA) where: Base-Base interactions energy: -28.849 where: short stacking energy: -29.449 Base-Backbone interact. energy: -0.347 local terms energy: -45.826148 where: bonds (distance) C4'-P energy: -8.197 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -6.803 tors. eta vs tors. theta energy: -4.687 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: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -71.820272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.820272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.820272 (E_RNA) where: Base-Base interactions energy: -27.918 where: short stacking energy: -27.918 Base-Backbone interact. energy: 1.614 local terms energy: -45.515888 where: bonds (distance) C4'-P energy: -10.780 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -13.249 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -225.040261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.040261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.040261 (E_RNA) where: Base-Base interactions energy: -153.588 where: short stacking energy: -70.979 Base-Backbone interact. energy: 0.252 local terms energy: -71.704517 where: bonds (distance) C4'-P energy: -14.441 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -20.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -217.313124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.313124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.313124 (E_RNA) where: Base-Base interactions energy: -145.327 where: short stacking energy: -67.328 Base-Backbone interact. energy: -0.043 local terms energy: -71.942974 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -20.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -215.830079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.830079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.830079 (E_RNA) where: Base-Base interactions energy: -150.139 where: short stacking energy: -67.626 Base-Backbone interact. energy: -0.149 local terms energy: -65.541977 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -10.248 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -19.944 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: 82 Temperature: 1.050000 Total energy: -214.117135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.117135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.117135 (E_RNA) where: Base-Base interactions energy: -146.008 where: short stacking energy: -63.600 Base-Backbone interact. energy: -0.001 local terms energy: -68.108849 where: bonds (distance) C4'-P energy: -13.791 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -10.290 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -20.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -206.547573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.547573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.547573 (E_RNA) where: Base-Base interactions energy: -139.153 where: short stacking energy: -53.793 Base-Backbone interact. energy: -0.171 local terms energy: -67.224243 where: bonds (distance) C4'-P energy: -15.534 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -9.603 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: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -194.000294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.000294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.000294 (E_RNA) where: Base-Base interactions energy: -132.584 where: short stacking energy: -54.763 Base-Backbone interact. energy: -0.177 local terms energy: -61.238731 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -11.880 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: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -188.609016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.609016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.609016 (E_RNA) where: Base-Base interactions energy: -130.300 where: short stacking energy: -56.141 Base-Backbone interact. energy: -0.012 local terms energy: -58.297339 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -10.805 flat angles P-C4'-P energy: -8.559 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: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -94.326382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.326382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.326382 (E_RNA) where: Base-Base interactions energy: -58.128 where: short stacking energy: -33.770 Base-Backbone interact. energy: -0.223 local terms energy: -35.974870 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -10.144 flat angles P-C4'-P energy: 0.072 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -73.303674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.303674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.303674 (E_RNA) where: Base-Base interactions energy: -27.476 where: short stacking energy: -17.226 Base-Backbone interact. energy: -0.149 local terms energy: -45.678388 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -16.894 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -2.890 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: 82 Temperature: 1.350000 Total energy: -70.665650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.665650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.665650 (E_RNA) where: Base-Base interactions energy: -28.422 where: short stacking energy: -17.917 Base-Backbone interact. energy: -0.151 local terms energy: -42.093042 where: bonds (distance) C4'-P energy: -10.789 bonds (distance) P-C4' energy: -15.116 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -8.727 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: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -217.405940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.405940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.405940 (E_RNA) where: Base-Base interactions energy: -146.391 where: short stacking energy: -61.778 Base-Backbone interact. energy: -0.135 local terms energy: -70.879380 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -15.976 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -18.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -220.886747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.886747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.886747 (E_RNA) where: Base-Base interactions energy: -147.209 where: short stacking energy: -66.318 Base-Backbone interact. energy: -1.879 local terms energy: -71.798126 where: bonds (distance) C4'-P energy: -14.674 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -15.962 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -20.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -207.394952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.394952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.394952 (E_RNA) where: Base-Base interactions energy: -141.251 where: short stacking energy: -60.040 Base-Backbone interact. energy: -0.407 local terms energy: -65.737221 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -9.815 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -20.222 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: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -206.121280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.121280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.121280 (E_RNA) where: Base-Base interactions energy: -141.513 where: short stacking energy: -57.995 Base-Backbone interact. energy: -0.132 local terms energy: -64.476329 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -15.352 flat angles P-C4'-P energy: -8.695 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: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -199.784173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.784173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.784173 (E_RNA) where: Base-Base interactions energy: -137.849 where: short stacking energy: -57.477 Base-Backbone interact. energy: -0.012 local terms energy: -61.923030 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -9.523 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: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -194.634867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.634867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.634867 (E_RNA) where: Base-Base interactions energy: -128.799 where: short stacking energy: -59.434 Base-Backbone interact. energy: -0.187 local terms energy: -65.648772 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -4.407 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: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -200.163151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.163151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.163151 (E_RNA) where: Base-Base interactions energy: -138.773 where: short stacking energy: -58.208 Base-Backbone interact. energy: -0.261 local terms energy: -61.128988 where: bonds (distance) C4'-P energy: -12.972 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -13.405 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: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -80.704210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.704210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.704210 (E_RNA) where: Base-Base interactions energy: -31.392 where: short stacking energy: -31.392 Base-Backbone interact. energy: -0.050 local terms energy: -49.263013 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -12.387 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -78.635673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.635673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.635673 (E_RNA) where: Base-Base interactions energy: -25.318 where: short stacking energy: -25.318 Base-Backbone interact. energy: -0.183 local terms energy: -53.134951 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -9.198 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: -7.630 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: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -75.734686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.734686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.734686 (E_RNA) where: Base-Base interactions energy: -31.646 where: short stacking energy: -26.704 Base-Backbone interact. energy: -0.393 local terms energy: -43.695177 where: bonds (distance) C4'-P energy: -10.416 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -1.632 tors. eta vs tors. theta energy: -6.024 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: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -221.852344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.852344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.852344 (E_RNA) where: Base-Base interactions energy: -150.811 where: short stacking energy: -65.229 Base-Backbone interact. energy: -0.516 local terms energy: -70.525421 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -16.470 flat angles P-C4'-P energy: -8.187 tors. eta vs tors. theta energy: -19.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -215.829068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.829068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.829068 (E_RNA) where: Base-Base interactions energy: -145.625 where: short stacking energy: -62.954 Base-Backbone interact. energy: -0.079 local terms energy: -70.125273 where: bonds (distance) C4'-P energy: -14.734 bonds (distance) P-C4' energy: -11.653 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -19.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -211.139411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.139411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.139411 (E_RNA) where: Base-Base interactions energy: -139.122 where: short stacking energy: -60.119 Base-Backbone interact. energy: -0.172 local terms energy: -71.845746 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -15.736 flat angles P-C4'-P energy: -11.479 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: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -204.812430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.812430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.812430 (E_RNA) where: Base-Base interactions energy: -142.888 where: short stacking energy: -54.647 Base-Backbone interact. energy: -0.358 local terms energy: -61.566852 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -11.237 flat angles P-C4'-P energy: -8.969 tors. eta vs tors. theta energy: -11.325 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: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -211.328419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.328419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.328419 (E_RNA) where: Base-Base interactions energy: -142.093 where: short stacking energy: -62.524 Base-Backbone interact. energy: -0.046 local terms energy: -69.189383 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -14.835 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -8.852 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: 6, replica: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -190.900883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.900883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.900883 (E_RNA) where: Base-Base interactions energy: -124.675 where: short stacking energy: -53.537 Base-Backbone interact. energy: 0.238 local terms energy: -66.464348 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -14.873 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -8.324 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: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -197.770174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.770174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.770174 (E_RNA) where: Base-Base interactions energy: -143.931 where: short stacking energy: -59.088 Base-Backbone interact. energy: -0.069 local terms energy: -53.770246 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -10.953 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -11.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -78.142385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.142385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.142385 (E_RNA) where: Base-Base interactions energy: -24.221 where: short stacking energy: -19.875 Base-Backbone interact. energy: -0.194 local terms energy: -53.727213 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -16.588 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -9.257 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: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -89.945272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.945272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.945272 (E_RNA) where: Base-Base interactions energy: -43.900 where: short stacking energy: -34.749 Base-Backbone interact. energy: 2.404 local terms energy: -48.449363 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -73.798274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.798274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.798274 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -17.237 Base-Backbone interact. energy: -0.090 local terms energy: -49.322103 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: 0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -219.200098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.200098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.200098 (E_RNA) where: Base-Base interactions energy: -147.648 where: short stacking energy: -65.788 Base-Backbone interact. energy: -0.054 local terms energy: -71.498061 where: bonds (distance) C4'-P energy: -10.839 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -12.275 tors. eta vs tors. theta energy: -17.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -213.335528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.335528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.335528 (E_RNA) where: Base-Base interactions energy: -146.945 where: short stacking energy: -69.544 Base-Backbone interact. energy: -0.002 local terms energy: -66.388840 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -16.562 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -18.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -214.182429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.182429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.182429 (E_RNA) where: Base-Base interactions energy: -145.338 where: short stacking energy: -66.975 Base-Backbone interact. energy: -0.236 local terms energy: -68.608116 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -10.865 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -8.280 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: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -213.092913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.092913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.092913 (E_RNA) where: Base-Base interactions energy: -143.924 where: short stacking energy: -54.179 Base-Backbone interact. energy: -0.133 local terms energy: -69.035564 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -15.586 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -14.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -207.619485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.619485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.619485 (E_RNA) where: Base-Base interactions energy: -142.526 where: short stacking energy: -62.265 Base-Backbone interact. energy: -0.038 local terms energy: -65.055467 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -8.591 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -20.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -188.027730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.027730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.027730 (E_RNA) where: Base-Base interactions energy: -126.256 where: short stacking energy: -53.647 Base-Backbone interact. energy: -0.034 local terms energy: -61.737223 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -7.724 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: 7, replica: 1 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -195.921763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.921763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.921763 (E_RNA) where: Base-Base interactions energy: -133.113 where: short stacking energy: -64.949 Base-Backbone interact. energy: -0.045 local terms energy: -62.763498 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -10.412 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -18.358 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: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -74.227326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.227326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.227326 (E_RNA) where: Base-Base interactions energy: -20.608 where: short stacking energy: -20.608 Base-Backbone interact. energy: -0.240 local terms energy: -53.379515 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -14.677 flat angles P-C4'-P energy: -10.962 tors. eta vs tors. theta energy: 0.034 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: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -82.006903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.006903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.006903 (E_RNA) where: Base-Base interactions energy: -31.443 where: short stacking energy: -31.443 Base-Backbone interact. energy: -0.078 local terms energy: -50.486253 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -70.777644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.777644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.777644 (E_RNA) where: Base-Base interactions energy: -21.220 where: short stacking energy: -21.220 Base-Backbone interact. energy: 0.507 local terms energy: -50.064772 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -215.162761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.162761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.162761 (E_RNA) where: Base-Base interactions energy: -147.455 where: short stacking energy: -63.958 Base-Backbone interact. energy: -0.624 local terms energy: -67.083531 where: bonds (distance) C4'-P energy: -14.041 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -9.749 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -18.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -220.181668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.181668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.181668 (E_RNA) where: Base-Base interactions energy: -149.727 where: short stacking energy: -70.563 Base-Backbone interact. energy: -0.005 local terms energy: -70.448794 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -15.845 flat angles P-C4'-P energy: -7.075 tors. eta vs tors. theta energy: -22.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -207.077640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.077640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.077640 (E_RNA) where: Base-Base interactions energy: -143.844 where: short stacking energy: -64.181 Base-Backbone interact. energy: -0.493 local terms energy: -62.740615 where: bonds (distance) C4'-P energy: -10.076 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -17.597 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: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -209.988099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.988099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.988099 (E_RNA) where: Base-Base interactions energy: -147.078 where: short stacking energy: -56.257 Base-Backbone interact. energy: -0.143 local terms energy: -62.767167 where: bonds (distance) C4'-P energy: -11.390 bonds (distance) P-C4' energy: -11.825 flat angles C4'-P-C4' energy: -17.144 flat angles P-C4'-P energy: -8.307 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: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -201.265921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.265921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.265921 (E_RNA) where: Base-Base interactions energy: -137.862 where: short stacking energy: -61.749 Base-Backbone interact. energy: -0.106 local terms energy: -63.297747 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -11.320 flat angles C4'-P-C4' energy: -13.174 flat angles P-C4'-P energy: -8.619 tors. eta vs tors. theta energy: -16.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -211.111787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.111787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.111787 (E_RNA) where: Base-Base interactions energy: -146.326 where: short stacking energy: -66.623 Base-Backbone interact. energy: -0.048 local terms energy: -64.738337 where: bonds (distance) C4'-P energy: -13.094 bonds (distance) P-C4' energy: -11.407 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -18.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -190.569067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.569067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.569067 (E_RNA) where: Base-Base interactions energy: -133.680 where: short stacking energy: -58.141 Base-Backbone interact. energy: 0.675 local terms energy: -57.563472 where: bonds (distance) C4'-P energy: -9.505 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -18.436 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: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -89.023602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.023602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.023602 (E_RNA) where: Base-Base interactions energy: -35.051 where: short stacking energy: -34.920 Base-Backbone interact. energy: -0.149 local terms energy: -53.823113 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -75.045143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.045143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.045143 (E_RNA) where: Base-Base interactions energy: -35.066 where: short stacking energy: -25.195 Base-Backbone interact. energy: -1.804 local terms energy: -38.175218 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -10.557 flat angles P-C4'-P energy: -8.151 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: 10, replica: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -75.970830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.970830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.970830 (E_RNA) where: Base-Base interactions energy: -29.908 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.187 local terms energy: -45.875417 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -10.460 flat angles P-C4'-P energy: -6.372 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -222.902555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.902555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.902555 (E_RNA) where: Base-Base interactions energy: -152.574 where: short stacking energy: -67.737 Base-Backbone interact. energy: -2.141 local terms energy: -68.187506 where: bonds (distance) C4'-P energy: -10.001 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -11.901 tors. eta vs tors. theta energy: -19.015 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: 87 Temperature: 0.950000 Total energy: -215.561080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.561080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.561080 (E_RNA) where: Base-Base interactions energy: -143.854 where: short stacking energy: -65.609 Base-Backbone interact. energy: -0.551 local terms energy: -71.156120 where: bonds (distance) C4'-P energy: -14.954 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -11.750 flat angles P-C4'-P energy: -10.532 tors. eta vs tors. theta energy: -20.099 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: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -221.127902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.127902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.127902 (E_RNA) where: Base-Base interactions energy: -150.664 where: short stacking energy: -69.849 Base-Backbone interact. energy: -0.013 local terms energy: -70.451206 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -14.529 flat angles P-C4'-P energy: -8.725 tors. eta vs tors. theta energy: -20.946 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: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -206.449676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.449676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.449676 (E_RNA) where: Base-Base interactions energy: -146.019 where: short stacking energy: -62.391 Base-Backbone interact. energy: -0.155 local terms energy: -60.275047 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: -19.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -201.407340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.407340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.407340 (E_RNA) where: Base-Base interactions energy: -144.176 where: short stacking energy: -63.482 Base-Backbone interact. energy: -0.108 local terms energy: -57.123376 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -9.243 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -12.976 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: 87 Temperature: 1.150000 Total energy: -199.899989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.899989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.899989 (E_RNA) where: Base-Base interactions energy: -135.763 where: short stacking energy: -63.536 Base-Backbone interact. energy: -0.580 local terms energy: -63.557577 where: bonds (distance) C4'-P energy: -8.889 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -8.842 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: 7, replica: 9 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -196.101886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.101886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.101886 (E_RNA) where: Base-Base interactions energy: -131.483 where: short stacking energy: -56.734 Base-Backbone interact. energy: -0.338 local terms energy: -64.280986 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -11.417 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -18.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -91.555483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.555483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.555483 (E_RNA) where: Base-Base interactions energy: -40.868 where: short stacking energy: -34.490 Base-Backbone interact. energy: -0.096 local terms energy: -50.590864 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -13.413 flat angles C4'-P-C4' energy: -11.132 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -6.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -90.313399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.313399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.313399 (E_RNA) where: Base-Base interactions energy: -36.522 where: short stacking energy: -36.522 Base-Backbone interact. energy: 0.073 local terms energy: -53.864511 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -10.982 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -7.966 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: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -76.509858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.509858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.509858 (E_RNA) where: Base-Base interactions energy: -29.746 where: short stacking energy: -28.913 Base-Backbone interact. energy: -0.068 local terms energy: -46.695731 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -5.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -222.138132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.138132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.138132 (E_RNA) where: Base-Base interactions energy: -154.250 where: short stacking energy: -66.688 Base-Backbone interact. energy: -0.049 local terms energy: -67.838972 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -10.645 flat angles P-C4'-P energy: -11.563 tors. eta vs tors. theta energy: -16.287 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: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -220.251794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.251794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.251794 (E_RNA) where: Base-Base interactions energy: -148.995 where: short stacking energy: -65.320 Base-Backbone interact. energy: -0.479 local terms energy: -70.778319 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -12.666 flat angles P-C4'-P energy: -10.426 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: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -215.789790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.789790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.789790 (E_RNA) where: Base-Base interactions energy: -150.000 where: short stacking energy: -63.896 Base-Backbone interact. energy: -0.384 local terms energy: -65.405965 where: bonds (distance) C4'-P energy: -11.291 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: -19.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -213.954598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.954598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.954598 (E_RNA) where: Base-Base interactions energy: -144.948 where: short stacking energy: -58.099 Base-Backbone interact. energy: -0.018 local terms energy: -68.988747 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -16.316 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -17.812 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: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -207.929511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.929511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.929511 (E_RNA) where: Base-Base interactions energy: -142.216 where: short stacking energy: -58.977 Base-Backbone interact. energy: -0.133 local terms energy: -65.580424 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -15.938 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: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -197.554505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.554505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.554505 (E_RNA) where: Base-Base interactions energy: -133.654 where: short stacking energy: -59.505 Base-Backbone interact. energy: -0.149 local terms energy: -63.751512 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -10.147 flat angles P-C4'-P energy: -10.162 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: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -191.905160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.905160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.905160 (E_RNA) where: Base-Base interactions energy: -133.276 where: short stacking energy: -54.181 Base-Backbone interact. energy: -1.071 local terms energy: -57.557613 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: -14.073 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: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -83.983544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.983544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.983544 (E_RNA) where: Base-Base interactions energy: -37.217 where: short stacking energy: -36.787 Base-Backbone interact. energy: -0.179 local terms energy: -46.586569 where: bonds (distance) C4'-P energy: -9.771 bonds (distance) P-C4' energy: -5.641 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -8.435 tors. eta vs tors. theta energy: -8.232 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: 9, replica: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -85.547379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.547379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.547379 (E_RNA) where: Base-Base interactions energy: -48.855 where: short stacking energy: -26.840 Base-Backbone interact. energy: 2.526 local terms energy: -39.218656 where: bonds (distance) C4'-P energy: -10.665 bonds (distance) P-C4' energy: -11.717 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -7.971 tors. eta vs tors. theta energy: 3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -74.657010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.657010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.657010 (E_RNA) where: Base-Base interactions energy: -28.199 where: short stacking energy: -28.199 Base-Backbone interact. energy: -0.172 local terms energy: -46.286079 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -9.587 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: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -220.637364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.637364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.637364 (E_RNA) where: Base-Base interactions energy: -151.424 where: short stacking energy: -61.779 Base-Backbone interact. energy: -0.175 local terms energy: -69.038287 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -9.518 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: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -215.773678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.773678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.773678 (E_RNA) where: Base-Base interactions energy: -150.700 where: short stacking energy: -69.836 Base-Backbone interact. energy: 3.343 local terms energy: -68.416649 where: bonds (distance) C4'-P energy: -9.510 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -11.173 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: 3, replica: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -214.195541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.195541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.195541 (E_RNA) where: Base-Base interactions energy: -145.694 where: short stacking energy: -69.555 Base-Backbone interact. energy: -0.000 local terms energy: -68.501647 where: bonds (distance) C4'-P energy: -10.279 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -21.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -208.051602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.051602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.051602 (E_RNA) where: Base-Base interactions energy: -145.172 where: short stacking energy: -56.960 Base-Backbone interact. energy: -0.098 local terms energy: -62.781631 where: bonds (distance) C4'-P energy: -14.387 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -7.395 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: 5, replica: 4 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -207.475506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.475506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.475506 (E_RNA) where: Base-Base interactions energy: -139.773 where: short stacking energy: -65.098 Base-Backbone interact. energy: -0.099 local terms energy: -67.603546 where: bonds (distance) C4'-P energy: -10.466 bonds (distance) P-C4' energy: -16.086 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -18.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -199.525357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.525357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.525357 (E_RNA) where: Base-Base interactions energy: -139.908 where: short stacking energy: -60.318 Base-Backbone interact. energy: 0.594 local terms energy: -60.211411 where: bonds (distance) C4'-P energy: -9.259 bonds (distance) P-C4' energy: -15.586 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -14.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -194.605579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.605579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.605579 (E_RNA) where: Base-Base interactions energy: -124.118 where: short stacking energy: -56.183 Base-Backbone interact. energy: -0.012 local terms energy: -70.475946 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -12.106 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: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -81.778082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.778082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.778082 (E_RNA) where: Base-Base interactions energy: -39.565 where: short stacking energy: -31.864 Base-Backbone interact. energy: -0.083 local terms energy: -42.130784 where: bonds (distance) C4'-P energy: -9.791 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -10.492 flat angles P-C4'-P energy: -3.031 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: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -81.850123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.850123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.850123 (E_RNA) where: Base-Base interactions energy: -32.589 where: short stacking energy: -22.729 Base-Backbone interact. energy: -0.131 local terms energy: -49.129927 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -9.882 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -6.688 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: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -70.688209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.688209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.688209 (E_RNA) where: Base-Base interactions energy: -34.826 where: short stacking energy: -22.078 Base-Backbone interact. energy: -0.285 local terms energy: -35.577103 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -14.299 flat angles C4'-P-C4' energy: -9.685 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -222.053790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.053790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.053790 (E_RNA) where: Base-Base interactions energy: -154.782 where: short stacking energy: -64.805 Base-Backbone interact. energy: -0.646 local terms energy: -66.626002 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -7.706 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: 2, replica: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -215.926769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.926769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.926769 (E_RNA) where: Base-Base interactions energy: -144.134 where: short stacking energy: -67.001 Base-Backbone interact. energy: -0.012 local terms energy: -71.780829 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -11.187 tors. eta vs tors. theta energy: -19.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -209.408370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.408370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.408370 (E_RNA) where: Base-Base interactions energy: -146.938 where: short stacking energy: -55.917 Base-Backbone interact. energy: -0.081 local terms energy: -62.389173 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -11.818 tors. eta vs tors. theta energy: -13.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -218.268755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.268755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.268755 (E_RNA) where: Base-Base interactions energy: -144.828 where: short stacking energy: -64.107 Base-Backbone interact. energy: -0.017 local terms energy: -73.423332 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -14.776 flat angles P-C4'-P energy: -10.981 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: 5, replica: 9 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -208.354395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.354395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.354395 (E_RNA) where: Base-Base interactions energy: -144.554 where: short stacking energy: -59.046 Base-Backbone interact. energy: -0.537 local terms energy: -63.263865 where: bonds (distance) C4'-P energy: -7.589 bonds (distance) P-C4' energy: -15.616 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -10.908 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: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -197.865785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.865785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.865785 (E_RNA) where: Base-Base interactions energy: -136.103 where: short stacking energy: -51.606 Base-Backbone interact. energy: -0.055 local terms energy: -61.708724 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -11.465 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -15.593 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: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -196.012442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.012442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.012442 (E_RNA) where: Base-Base interactions energy: -133.785 where: short stacking energy: -60.345 Base-Backbone interact. energy: -0.065 local terms energy: -62.162486 where: bonds (distance) C4'-P energy: -10.040 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -12.083 flat angles P-C4'-P energy: -10.633 tors. eta vs tors. theta energy: -14.313 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: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -79.873753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.873753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.873753 (E_RNA) where: Base-Base interactions energy: -26.831 where: short stacking energy: -26.831 Base-Backbone interact. energy: -0.003 local terms energy: -53.039601 where: bonds (distance) C4'-P energy: -7.282 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -10.089 tors. eta vs tors. theta energy: -8.746 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: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -93.155976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.155976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.155976 (E_RNA) where: Base-Base interactions energy: -44.934 where: short stacking energy: -32.645 Base-Backbone interact. energy: 3.033 local terms energy: -51.255420 where: bonds (distance) C4'-P energy: -9.352 bonds (distance) P-C4' energy: -12.407 flat angles C4'-P-C4' energy: -15.011 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -5.627 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: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -71.754501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.754501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.754501 (E_RNA) where: Base-Base interactions energy: -26.124 where: short stacking energy: -23.796 Base-Backbone interact. energy: -0.070 local terms energy: -45.559614 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -8.490 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -5.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -223.964583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.964583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.964583 (E_RNA) where: Base-Base interactions energy: -152.818 where: short stacking energy: -69.898 Base-Backbone interact. energy: -0.616 local terms energy: -70.530269 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -20.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -216.936627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.936627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.936627 (E_RNA) where: Base-Base interactions energy: -148.694 where: short stacking energy: -68.150 Base-Backbone interact. energy: -0.003 local terms energy: -68.239659 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -13.806 flat angles P-C4'-P energy: -9.479 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: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -210.824482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.824482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.824482 (E_RNA) where: Base-Base interactions energy: -139.986 where: short stacking energy: -57.120 Base-Backbone interact. energy: -1.003 local terms energy: -69.834990 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -9.019 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: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -214.757930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.757930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.757930 (E_RNA) where: Base-Base interactions energy: -144.707 where: short stacking energy: -61.250 Base-Backbone interact. energy: -0.658 local terms energy: -69.393392 where: bonds (distance) C4'-P energy: -10.333 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -15.900 flat angles P-C4'-P energy: -11.231 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: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -209.010548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.010548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.010548 (E_RNA) where: Base-Base interactions energy: -142.654 where: short stacking energy: -65.473 Base-Backbone interact. energy: -0.004 local terms energy: -66.352690 where: bonds (distance) C4'-P energy: -11.298 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -6.557 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: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -193.815363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.815363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.815363 (E_RNA) where: Base-Base interactions energy: -132.673 where: short stacking energy: -61.818 Base-Backbone interact. energy: -0.001 local terms energy: -61.141167 where: bonds (distance) C4'-P energy: -11.133 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -11.471 flat angles P-C4'-P energy: -10.642 tors. eta vs tors. theta energy: -16.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -195.408459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.408459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.408459 (E_RNA) where: Base-Base interactions energy: -137.559 where: short stacking energy: -56.489 Base-Backbone interact. energy: -0.056 local terms energy: -57.794289 where: bonds (distance) C4'-P energy: -12.964 bonds (distance) P-C4' energy: -9.784 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -14.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -87.166544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.166544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.166544 (E_RNA) where: Base-Base interactions energy: -33.849 where: short stacking energy: -32.233 Base-Backbone interact. energy: 0.026 local terms energy: -53.342658 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -7.732 tors. eta vs tors. theta energy: -10.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -79.768760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.768760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.768760 (E_RNA) where: Base-Base interactions energy: -29.455 where: short stacking energy: -26.636 Base-Backbone interact. energy: -0.014 local terms energy: -50.299765 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -10.204 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -75.560211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.560211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.560211 (E_RNA) where: Base-Base interactions energy: -31.851 where: short stacking energy: -28.136 Base-Backbone interact. energy: -0.008 local terms energy: -43.700655 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -12.336 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -227.849511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.849511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.849511 (E_RNA) where: Base-Base interactions energy: -155.357 where: short stacking energy: -67.785 Base-Backbone interact. energy: -0.053 local terms energy: -72.439429 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -16.798 flat angles P-C4'-P energy: -8.368 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: 2, replica: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -218.861761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.861761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.861761 (E_RNA) where: Base-Base interactions energy: -150.980 where: short stacking energy: -65.663 Base-Backbone interact. energy: -0.010 local terms energy: -67.871617 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -12.017 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -18.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -212.576023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.576023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.576023 (E_RNA) where: Base-Base interactions energy: -145.174 where: short stacking energy: -59.073 Base-Backbone interact. energy: -0.807 local terms energy: -66.594294 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -16.243 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -15.973 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: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -200.495454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.495454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.495454 (E_RNA) where: Base-Base interactions energy: -138.295 where: short stacking energy: -54.444 Base-Backbone interact. energy: -0.455 local terms energy: -61.745940 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -14.347 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -13.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -207.884459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.884459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.884459 (E_RNA) where: Base-Base interactions energy: -144.786 where: short stacking energy: -64.463 Base-Backbone interact. energy: 0.107 local terms energy: -63.205061 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -10.610 flat angles C4'-P-C4' energy: -10.232 flat angles P-C4'-P energy: -11.019 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: 6, replica: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -192.685342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.685342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.685342 (E_RNA) where: Base-Base interactions energy: -133.010 where: short stacking energy: -57.229 Base-Backbone interact. energy: -0.009 local terms energy: -59.666162 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -11.492 flat angles C4'-P-C4' energy: -16.788 flat angles P-C4'-P energy: -6.819 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: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -199.858467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.858467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.858467 (E_RNA) where: Base-Base interactions energy: -140.474 where: short stacking energy: -60.064 Base-Backbone interact. energy: -0.055 local terms energy: -59.330077 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -11.651 flat angles P-C4'-P energy: -7.133 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -126.022454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.022454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.022454 (E_RNA) where: Base-Base interactions energy: -74.706 where: short stacking energy: -39.732 Base-Backbone interact. energy: -0.644 local terms energy: -50.671907 where: bonds (distance) C4'-P energy: -10.375 bonds (distance) P-C4' energy: -10.389 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -10.170 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -79.291146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.291146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.291146 (E_RNA) where: Base-Base interactions energy: -29.250 where: short stacking energy: -22.165 Base-Backbone interact. energy: 0.914 local terms energy: -50.955203 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -12.511 flat angles P-C4'-P energy: -8.933 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: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -85.827997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.827997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.827997 (E_RNA) where: Base-Base interactions energy: -32.546 where: short stacking energy: -32.546 Base-Backbone interact. energy: -1.002 local terms energy: -52.279896 where: bonds (distance) C4'-P energy: -14.491 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -9.216 flat angles P-C4'-P energy: -7.324 tors. eta vs tors. theta energy: -7.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -222.430061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.430061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.430061 (E_RNA) where: Base-Base interactions energy: -152.651 where: short stacking energy: -68.712 Base-Backbone interact. energy: -0.006 local terms energy: -69.773399 where: bonds (distance) C4'-P energy: -12.664 bonds (distance) P-C4' energy: -11.378 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -12.139 tors. eta vs tors. theta energy: -20.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -219.480540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.480540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.480540 (E_RNA) where: Base-Base interactions energy: -143.434 where: short stacking energy: -61.846 Base-Backbone interact. energy: -0.039 local terms energy: -76.007618 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -18.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -218.732998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.732998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.732998 (E_RNA) where: Base-Base interactions energy: -148.554 where: short stacking energy: -61.636 Base-Backbone interact. energy: -0.294 local terms energy: -69.884846 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -8.182 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: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -200.408003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.408003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.408003 (E_RNA) where: Base-Base interactions energy: -130.412 where: short stacking energy: -52.123 Base-Backbone interact. energy: -0.472 local terms energy: -69.524273 where: bonds (distance) C4'-P energy: -15.732 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -15.023 flat angles P-C4'-P energy: -11.453 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: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -214.895301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.895301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.895301 (E_RNA) where: Base-Base interactions energy: -145.900 where: short stacking energy: -64.677 Base-Backbone interact. energy: -0.303 local terms energy: -68.692173 where: bonds (distance) C4'-P energy: -14.217 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -8.654 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: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -196.496676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.496676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.496676 (E_RNA) where: Base-Base interactions energy: -140.334 where: short stacking energy: -49.576 Base-Backbone interact. energy: -0.282 local terms energy: -55.880192 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -12.252 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -9.219 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: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -188.936581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.936581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.936581 (E_RNA) where: Base-Base interactions energy: -127.217 where: short stacking energy: -52.876 Base-Backbone interact. energy: 0.520 local terms energy: -62.239967 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -5.413 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: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -78.533912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.533912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.533912 (E_RNA) where: Base-Base interactions energy: -31.542 where: short stacking energy: -31.542 Base-Backbone interact. energy: 1.138 local terms energy: -48.130214 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -12.291 flat angles C4'-P-C4' energy: -11.563 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -69.808857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.808857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.808857 (E_RNA) where: Base-Base interactions energy: -32.664 where: short stacking energy: -27.119 Base-Backbone interact. energy: -0.111 local terms energy: -37.033657 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -9.992 flat angles C4'-P-C4' energy: -8.509 flat angles P-C4'-P energy: -7.938 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: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -69.679838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.679838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.679838 (E_RNA) where: Base-Base interactions energy: -22.512 where: short stacking energy: -19.693 Base-Backbone interact. energy: -1.640 local terms energy: -45.527171 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -11.480 flat angles C4'-P-C4' energy: -12.468 flat angles P-C4'-P energy: -8.469 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: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -222.474717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.474717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.474717 (E_RNA) where: Base-Base interactions energy: -149.455 where: short stacking energy: -68.108 Base-Backbone interact. energy: -0.046 local terms energy: -72.973081 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -15.187 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -12.892 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: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -220.524692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.524692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.524692 (E_RNA) where: Base-Base interactions energy: -152.108 where: short stacking energy: -65.919 Base-Backbone interact. energy: -0.632 local terms energy: -67.784588 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -216.211633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.211633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.211633 (E_RNA) where: Base-Base interactions energy: -150.151 where: short stacking energy: -70.075 Base-Backbone interact. energy: -0.179 local terms energy: -65.881119 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -10.826 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -18.066 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: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -207.905552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.905552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.905552 (E_RNA) where: Base-Base interactions energy: -142.799 where: short stacking energy: -69.218 Base-Backbone interact. energy: -0.111 local terms energy: -64.995550 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -7.113 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: 5, replica: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -210.353245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.353245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.353245 (E_RNA) where: Base-Base interactions energy: -144.199 where: short stacking energy: -63.292 Base-Backbone interact. energy: -0.292 local terms energy: -65.862521 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -15.290 flat angles P-C4'-P energy: -7.000 tors. eta vs tors. theta energy: -16.531 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: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -204.727729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.727729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.727729 (E_RNA) where: Base-Base interactions energy: -139.883 where: short stacking energy: -60.537 Base-Backbone interact. energy: -0.416 local terms energy: -64.429163 where: bonds (distance) C4'-P energy: -10.801 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -19.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -190.946689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.946689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.946689 (E_RNA) where: Base-Base interactions energy: -126.163 where: short stacking energy: -58.066 Base-Backbone interact. energy: 0.120 local terms energy: -64.903084 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -10.399 flat angles P-C4'-P energy: -12.659 tors. eta vs tors. theta energy: -14.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -89.499487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.499487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.499487 (E_RNA) where: Base-Base interactions energy: -41.728 where: short stacking energy: -36.597 Base-Backbone interact. energy: 0.777 local terms energy: -48.549013 where: bonds (distance) C4'-P energy: -11.521 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -10.978 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -79.694116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.694116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.694116 (E_RNA) where: Base-Base interactions energy: -33.207 where: short stacking energy: -22.518 Base-Backbone interact. energy: -0.203 local terms energy: -46.283371 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -6.579 tors. eta vs tors. theta energy: -0.096 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: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -72.088210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.088210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.088210 (E_RNA) where: Base-Base interactions energy: -28.466 where: short stacking energy: -22.878 Base-Backbone interact. energy: -0.091 local terms energy: -43.531036 where: bonds (distance) C4'-P energy: -11.068 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -10.094 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -3.621 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: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -221.745345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.745345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.745345 (E_RNA) where: Base-Base interactions energy: -154.514 where: short stacking energy: -70.253 Base-Backbone interact. energy: -0.045 local terms energy: -67.185943 where: bonds (distance) C4'-P energy: -9.440 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -10.578 tors. eta vs tors. theta energy: -19.427 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: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -217.275129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.275129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.275129 (E_RNA) where: Base-Base interactions energy: -147.291 where: short stacking energy: -63.602 Base-Backbone interact. energy: -0.067 local terms energy: -69.916543 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -13.825 flat angles P-C4'-P energy: -10.725 tors. eta vs tors. theta energy: -17.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -218.156299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.156299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.156299 (E_RNA) where: Base-Base interactions energy: -151.806 where: short stacking energy: -65.516 Base-Backbone interact. energy: -0.005 local terms energy: -66.345543 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -9.704 flat angles C4'-P-C4' energy: -12.034 flat angles P-C4'-P energy: -11.878 tors. eta vs tors. theta energy: -19.212 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: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -212.172685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.172685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.172685 (E_RNA) where: Base-Base interactions energy: -144.185 where: short stacking energy: -64.032 Base-Backbone interact. energy: -0.002 local terms energy: -67.985500 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -10.878 tors. eta vs tors. theta energy: -17.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -208.875796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.875796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.875796 (E_RNA) where: Base-Base interactions energy: -149.165 where: short stacking energy: -62.848 Base-Backbone interact. energy: -0.021 local terms energy: -59.690425 where: bonds (distance) C4'-P energy: -8.159 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -10.973 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: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -203.256503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.256503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.256503 (E_RNA) where: Base-Base interactions energy: -137.158 where: short stacking energy: -64.279 Base-Backbone interact. energy: -0.082 local terms energy: -66.016053 where: bonds (distance) C4'-P energy: -13.265 bonds (distance) P-C4' energy: -12.350 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -7.135 tors. eta vs tors. theta energy: -18.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -207.563070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.563070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.563070 (E_RNA) where: Base-Base interactions energy: -144.173 where: short stacking energy: -63.279 Base-Backbone interact. energy: -0.001 local terms energy: -63.389998 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -8.486 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -9.543 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: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -80.366840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.366840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.366840 (E_RNA) where: Base-Base interactions energy: -23.976 where: short stacking energy: -23.976 Base-Backbone interact. energy: -0.143 local terms energy: -56.248474 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -79.174674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.174674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.174674 (E_RNA) where: Base-Base interactions energy: -19.896 where: short stacking energy: -19.896 Base-Backbone interact. energy: -0.129 local terms energy: -59.149248 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -11.822 tors. eta vs tors. theta energy: -5.257 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: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -79.982203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.982203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.982203 (E_RNA) where: Base-Base interactions energy: -36.818 where: short stacking energy: -21.910 Base-Backbone interact. energy: -0.037 local terms energy: -43.127040 where: bonds (distance) C4'-P energy: -9.704 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -8.871 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -220.207378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.207378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.207378 (E_RNA) where: Base-Base interactions energy: -152.780 where: short stacking energy: -67.731 Base-Backbone interact. energy: 0.335 local terms energy: -67.762896 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -7.831 tors. eta vs tors. theta energy: -18.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -216.758166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.758166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.758166 (E_RNA) where: Base-Base interactions energy: -149.523 where: short stacking energy: -65.846 Base-Backbone interact. energy: -0.021 local terms energy: -67.214720 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -12.080 tors. eta vs tors. theta energy: -17.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -218.466788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.466788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.466788 (E_RNA) where: Base-Base interactions energy: -151.010 where: short stacking energy: -67.237 Base-Backbone interact. energy: -0.575 local terms energy: -66.881709 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -10.951 flat angles C4'-P-C4' energy: -16.257 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -16.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -207.374844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.374844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.374844 (E_RNA) where: Base-Base interactions energy: -143.862 where: short stacking energy: -61.201 Base-Backbone interact. energy: -0.223 local terms energy: -63.289849 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -15.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -199.750112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.750112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.750112 (E_RNA) where: Base-Base interactions energy: -130.989 where: short stacking energy: -56.096 Base-Backbone interact. energy: 0.394 local terms energy: -69.155599 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -11.553 tors. eta vs tors. theta energy: -17.163 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: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -201.877221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.877221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.877221 (E_RNA) where: Base-Base interactions energy: -142.775 where: short stacking energy: -63.247 Base-Backbone interact. energy: -0.101 local terms energy: -59.001241 where: bonds (distance) C4'-P energy: -12.363 bonds (distance) P-C4' energy: -13.335 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -17.505 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: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -208.096696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.096696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.096696 (E_RNA) where: Base-Base interactions energy: -144.164 where: short stacking energy: -63.766 Base-Backbone interact. energy: -0.920 local terms energy: -63.013090 where: bonds (distance) C4'-P energy: -15.057 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -8.224 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: 8, replica: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -80.866862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.866862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.866862 (E_RNA) where: Base-Base interactions energy: -30.363 where: short stacking energy: -26.669 Base-Backbone interact. energy: -0.014 local terms energy: -50.489656 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -100.790228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.790228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.790228 (E_RNA) where: Base-Base interactions energy: -61.769 where: short stacking energy: -26.262 Base-Backbone interact. energy: -0.217 local terms energy: -38.804139 where: bonds (distance) C4'-P energy: -10.325 bonds (distance) P-C4' energy: -12.568 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -75.993336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.993336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.993336 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -30.202 Base-Backbone interact. energy: 1.424 local terms energy: -47.215415 where: bonds (distance) C4'-P energy: -8.707 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -11.014 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -3.581 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: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -223.537129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.537129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.537129 (E_RNA) where: Base-Base interactions energy: -154.683 where: short stacking energy: -67.755 Base-Backbone interact. energy: -0.066 local terms energy: -68.788165 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -14.015 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -19.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -220.709509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.709509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.709509 (E_RNA) where: Base-Base interactions energy: -149.860 where: short stacking energy: -66.496 Base-Backbone interact. energy: -0.077 local terms energy: -70.772433 where: bonds (distance) C4'-P energy: -9.550 bonds (distance) P-C4' energy: -14.490 flat angles C4'-P-C4' energy: -14.321 flat angles P-C4'-P energy: -12.376 tors. eta vs tors. theta energy: -20.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -210.161913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.161913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.161913 (E_RNA) where: Base-Base interactions energy: -146.521 where: short stacking energy: -62.742 Base-Backbone interact. energy: -0.650 local terms energy: -62.991550 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -11.846 tors. eta vs tors. theta energy: -14.717 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: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -209.293725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.293725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.293725 (E_RNA) where: Base-Base interactions energy: -149.091 where: short stacking energy: -58.338 Base-Backbone interact. energy: -0.244 local terms energy: -59.958696 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -4.514 flat angles C4'-P-C4' energy: -16.773 flat angles P-C4'-P energy: -10.916 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: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -197.255294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.255294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.255294 (E_RNA) where: Base-Base interactions energy: -128.470 where: short stacking energy: -56.687 Base-Backbone interact. energy: -0.001 local terms energy: -68.784508 where: bonds (distance) C4'-P energy: -12.260 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -16.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -202.228421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.228421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.228421 (E_RNA) where: Base-Base interactions energy: -145.113 where: short stacking energy: -54.842 Base-Backbone interact. energy: -0.093 local terms energy: -57.022875 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -7.120 tors. eta vs tors. theta energy: -13.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -180.781771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.781771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.781771 (E_RNA) where: Base-Base interactions energy: -120.317 where: short stacking energy: -58.054 Base-Backbone interact. energy: -0.171 local terms energy: -60.294279 where: bonds (distance) C4'-P energy: -8.487 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -16.179 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: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -112.330372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.330372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.330372 (E_RNA) where: Base-Base interactions energy: -54.968 where: short stacking energy: -27.086 Base-Backbone interact. energy: -0.155 local terms energy: -57.207108 where: bonds (distance) C4'-P energy: -15.268 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -69.074450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.074450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.074450 (E_RNA) where: Base-Base interactions energy: -28.333 where: short stacking energy: -26.317 Base-Backbone interact. energy: -0.068 local terms energy: -40.674094 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -1.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -69.285392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.285392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.285392 (E_RNA) where: Base-Base interactions energy: -25.843 where: short stacking energy: -25.179 Base-Backbone interact. energy: -0.042 local terms energy: -43.399898 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -9.164 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -5.021 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: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -222.831635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.831635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.831635 (E_RNA) where: Base-Base interactions energy: -146.198 where: short stacking energy: -65.037 Base-Backbone interact. energy: -0.026 local terms energy: -76.607657 where: bonds (distance) C4'-P energy: -15.600 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -21.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -218.348748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.348748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.348748 (E_RNA) where: Base-Base interactions energy: -147.643 where: short stacking energy: -62.333 Base-Backbone interact. energy: -0.139 local terms energy: -70.566853 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -16.106 flat angles P-C4'-P energy: -10.743 tors. eta vs tors. theta energy: -15.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -212.188970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.188970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.188970 (E_RNA) where: Base-Base interactions energy: -149.659 where: short stacking energy: -66.553 Base-Backbone interact. energy: -0.051 local terms energy: -62.478305 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -9.020 flat angles C4'-P-C4' energy: -11.299 flat angles P-C4'-P energy: -12.181 tors. eta vs tors. theta energy: -16.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -211.237771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.237771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.237771 (E_RNA) where: Base-Base interactions energy: -144.852 where: short stacking energy: -63.892 Base-Backbone interact. energy: -0.165 local terms energy: -66.220943 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -8.535 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: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -196.396757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.396757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.396757 (E_RNA) where: Base-Base interactions energy: -130.535 where: short stacking energy: -55.456 Base-Backbone interact. energy: -0.162 local terms energy: -65.699220 where: bonds (distance) C4'-P energy: -10.234 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -14.857 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -15.960 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: 98 Temperature: 1.150000 Total energy: -211.874940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.874940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.874940 (E_RNA) where: Base-Base interactions energy: -145.199 where: short stacking energy: -59.475 Base-Backbone interact. energy: -0.344 local terms energy: -66.331672 where: bonds (distance) C4'-P energy: -11.452 bonds (distance) P-C4' energy: -10.890 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -17.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -164.411499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.411499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.411499 (E_RNA) where: Base-Base interactions energy: -99.918 where: short stacking energy: -35.960 Base-Backbone interact. energy: -0.414 local terms energy: -64.079426 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -15.781 flat angles P-C4'-P energy: -13.277 tors. eta vs tors. theta energy: -10.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -112.551369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.551369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.551369 (E_RNA) where: Base-Base interactions energy: -65.565 where: short stacking energy: -32.607 Base-Backbone interact. energy: -0.128 local terms energy: -46.858529 where: bonds (distance) C4'-P energy: -8.708 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -7.065 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: 98 Temperature: 1.300000 Total energy: -84.797194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.797194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.797194 (E_RNA) where: Base-Base interactions energy: -34.640 where: short stacking energy: -34.640 Base-Backbone interact. energy: 0.724 local terms energy: -50.881805 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -10.084 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -10.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -112.875868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.875868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.875868 (E_RNA) where: Base-Base interactions energy: -71.167 where: short stacking energy: -35.993 Base-Backbone interact. energy: -0.116 local terms energy: -41.593257 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -11.024 flat angles C4'-P-C4' energy: -9.637 flat angles P-C4'-P energy: -3.169 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: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -222.699909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.699909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.699909 (E_RNA) where: Base-Base interactions energy: -148.548 where: short stacking energy: -69.850 Base-Backbone interact. energy: -0.045 local terms energy: -74.106477 where: bonds (distance) C4'-P energy: -16.328 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -8.118 tors. eta vs tors. theta energy: -21.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -224.588635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.588635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.588635 (E_RNA) where: Base-Base interactions energy: -154.239 where: short stacking energy: -66.987 Base-Backbone interact. energy: -0.125 local terms energy: -70.224062 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -10.249 tors. eta vs tors. theta energy: -18.057 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: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -216.433205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.433205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.433205 (E_RNA) where: Base-Base interactions energy: -144.803 where: short stacking energy: -65.616 Base-Backbone interact. energy: -0.224 local terms energy: -71.406055 where: bonds (distance) C4'-P energy: -15.956 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -9.504 flat angles P-C4'-P energy: -11.050 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: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -211.370824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.370824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.370824 (E_RNA) where: Base-Base interactions energy: -146.967 where: short stacking energy: -66.596 Base-Backbone interact. energy: -0.008 local terms energy: -64.395884 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -10.543 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: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -211.068474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.068474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.068474 (E_RNA) where: Base-Base interactions energy: -142.255 where: short stacking energy: -61.330 Base-Backbone interact. energy: -0.267 local terms energy: -68.546912 where: bonds (distance) C4'-P energy: -10.869 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -15.248 flat angles P-C4'-P energy: -7.767 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: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -212.076250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.076250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.076250 (E_RNA) where: Base-Base interactions energy: -141.461 where: short stacking energy: -54.142 Base-Backbone interact. energy: -0.131 local terms energy: -70.483624 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -18.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -196.455396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.455396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.455396 (E_RNA) where: Base-Base interactions energy: -135.635 where: short stacking energy: -57.225 Base-Backbone interact. energy: -0.182 local terms energy: -60.638240 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -7.351 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: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -79.542935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.542935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.542935 (E_RNA) where: Base-Base interactions energy: -28.827 where: short stacking energy: -28.725 Base-Backbone interact. energy: -0.063 local terms energy: -50.653504 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -5.924 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: 9, replica: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -83.218464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.218464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.218464 (E_RNA) where: Base-Base interactions energy: -33.017 where: short stacking energy: -33.017 Base-Backbone interact. energy: -0.029 local terms energy: -50.172585 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -8.446 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: 10, replica: 6 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -124.126146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.126146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.126146 (E_RNA) where: Base-Base interactions energy: -77.174 where: short stacking energy: -39.758 Base-Backbone interact. energy: -0.112 local terms energy: -46.840308 where: bonds (distance) C4'-P energy: -9.915 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -9.600 tors. eta vs tors. theta energy: -6.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -221.919158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.919158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.919158 (E_RNA) where: Base-Base interactions energy: -147.654 where: short stacking energy: -65.135 Base-Backbone interact. energy: -0.093 local terms energy: -74.171745 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -11.048 tors. eta vs tors. theta energy: -18.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -218.654718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.654718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.654718 (E_RNA) where: Base-Base interactions energy: -147.931 where: short stacking energy: -66.944 Base-Backbone interact. energy: -0.721 local terms energy: -70.002727 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -11.635 flat angles C4'-P-C4' energy: -15.135 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -20.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -219.246188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.246188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.246188 (E_RNA) where: Base-Base interactions energy: -150.442 where: short stacking energy: -64.919 Base-Backbone interact. energy: -0.289 local terms energy: -68.515240 where: bonds (distance) C4'-P energy: -8.809 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -12.416 tors. eta vs tors. theta energy: -19.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -213.011354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.011354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.011354 (E_RNA) where: Base-Base interactions energy: -142.333 where: short stacking energy: -60.677 Base-Backbone interact. energy: -0.015 local terms energy: -70.662778 where: bonds (distance) C4'-P energy: -14.582 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -16.022 flat angles P-C4'-P energy: -7.684 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: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -204.467547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.467547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.467547 (E_RNA) where: Base-Base interactions energy: -138.895 where: short stacking energy: -57.010 Base-Backbone interact. energy: -0.163 local terms energy: -65.409586 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -16.564 flat angles P-C4'-P energy: -8.105 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: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -190.309009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.309009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.309009 (E_RNA) where: Base-Base interactions energy: -123.290 where: short stacking energy: -54.324 Base-Backbone interact. energy: -0.053 local terms energy: -66.965925 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -11.022 flat angles C4'-P-C4' energy: -14.939 flat angles P-C4'-P energy: -9.624 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: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -192.162876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.162876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.162876 (E_RNA) where: Base-Base interactions energy: -134.602 where: short stacking energy: -52.705 Base-Backbone interact. energy: -0.020 local terms energy: -57.541087 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -15.778 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: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -77.172278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.172278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.172278 (E_RNA) where: Base-Base interactions energy: -26.567 where: short stacking energy: -26.567 Base-Backbone interact. energy: -0.197 local terms energy: -50.407853 where: bonds (distance) C4'-P energy: -12.114 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -7.186 tors. eta vs tors. theta energy: -6.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -107.936730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.936730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.936730 (E_RNA) where: Base-Base interactions energy: -63.230 where: short stacking energy: -23.452 Base-Backbone interact. energy: -0.954 local terms energy: -43.752507 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -3.854 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: 10, replica: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -79.501550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.501550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.501550 (E_RNA) where: Base-Base interactions energy: -43.772 where: short stacking energy: -22.540 Base-Backbone interact. energy: -0.112 local terms energy: -35.617527 where: bonds (distance) C4'-P energy: -9.953 bonds (distance) P-C4' energy: -9.784 flat angles C4'-P-C4' energy: -9.797 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: 3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -219.315892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.315892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.315892 (E_RNA) where: Base-Base interactions energy: -142.952 where: short stacking energy: -60.410 Base-Backbone interact. energy: -1.517 local terms energy: -74.846963 where: bonds (distance) C4'-P energy: -14.709 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -17.535 flat angles P-C4'-P energy: -11.418 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: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -216.821188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.821188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.821188 (E_RNA) where: Base-Base interactions energy: -145.983 where: short stacking energy: -63.159 Base-Backbone interact. energy: -0.053 local terms energy: -70.785281 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -10.563 tors. eta vs tors. theta energy: -18.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -207.843415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.843415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.843415 (E_RNA) where: Base-Base interactions energy: -141.207 where: short stacking energy: -61.103 Base-Backbone interact. energy: -0.031 local terms energy: -66.605380 where: bonds (distance) C4'-P energy: -8.516 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -20.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -209.848629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.848629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.848629 (E_RNA) where: Base-Base interactions energy: -140.399 where: short stacking energy: -55.831 Base-Backbone interact. energy: -0.060 local terms energy: -69.389346 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -14.957 flat angles C4'-P-C4' energy: -16.903 flat angles P-C4'-P energy: -11.175 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: 5, replica: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -204.952090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.952090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.952090 (E_RNA) where: Base-Base interactions energy: -146.041 where: short stacking energy: -61.723 Base-Backbone interact. energy: -0.001 local terms energy: -58.909917 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -16.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -210.077785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.077785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.077785 (E_RNA) where: Base-Base interactions energy: -142.277 where: short stacking energy: -61.085 Base-Backbone interact. energy: -0.036 local terms energy: -67.764698 where: bonds (distance) C4'-P energy: -14.033 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -17.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -195.242819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.242819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.242819 (E_RNA) where: Base-Base interactions energy: -136.760 where: short stacking energy: -64.946 Base-Backbone interact. energy: -0.650 local terms energy: -57.832022 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -13.458 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: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -114.694464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.694464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.694464 (E_RNA) where: Base-Base interactions energy: -61.749 where: short stacking energy: -28.816 Base-Backbone interact. energy: 0.112 local terms energy: -53.057484 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -6.056 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: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -79.166346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.166346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.166346 (E_RNA) where: Base-Base interactions energy: -39.100 where: short stacking energy: -26.336 Base-Backbone interact. energy: -0.088 local terms energy: -39.977796 where: bonds (distance) C4'-P energy: -14.367 bonds (distance) P-C4' energy: -9.223 flat angles C4'-P-C4' energy: -12.215 flat angles P-C4'-P energy: -1.274 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: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -76.658630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.658630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.658630 (E_RNA) where: Base-Base interactions energy: -29.626 where: short stacking energy: -29.626 Base-Backbone interact. energy: -0.071 local terms energy: -46.961419 where: bonds (distance) C4'-P energy: -9.837 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -12.854 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -225.166875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.166875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.166875 (E_RNA) where: Base-Base interactions energy: -151.781 where: short stacking energy: -68.220 Base-Backbone interact. energy: -0.001 local terms energy: -73.384657 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -20.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -219.169718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.169718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.169718 (E_RNA) where: Base-Base interactions energy: -147.755 where: short stacking energy: -64.660 Base-Backbone interact. energy: -0.009 local terms energy: -71.406366 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -8.995 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: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -212.801224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.801224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.801224 (E_RNA) where: Base-Base interactions energy: -147.040 where: short stacking energy: -67.187 Base-Backbone interact. energy: -0.580 local terms energy: -65.181324 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -15.942 flat angles P-C4'-P energy: -8.965 tors. eta vs tors. theta energy: -16.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -206.552502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.552502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.552502 (E_RNA) where: Base-Base interactions energy: -140.102 where: short stacking energy: -60.336 Base-Backbone interact. energy: -0.105 local terms energy: -66.345948 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -4.102 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: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -205.532818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.532818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.532818 (E_RNA) where: Base-Base interactions energy: -138.031 where: short stacking energy: -58.026 Base-Backbone interact. energy: -0.229 local terms energy: -67.273363 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -11.470 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: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -203.000945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.000945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.000945 (E_RNA) where: Base-Base interactions energy: -145.775 where: short stacking energy: -59.752 Base-Backbone interact. energy: -0.588 local terms energy: -56.637201 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -11.010 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -15.407 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: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -82.528405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.528405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.528405 (E_RNA) where: Base-Base interactions energy: -37.429 where: short stacking energy: -33.454 Base-Backbone interact. energy: -0.081 local terms energy: -45.017527 where: bonds (distance) C4'-P energy: -11.380 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -190.593890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.593890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.593890 (E_RNA) where: Base-Base interactions energy: -126.529 where: short stacking energy: -62.416 Base-Backbone interact. energy: -0.087 local terms energy: -63.978612 where: bonds (distance) C4'-P energy: -10.049 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -16.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -83.462957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.462957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.462957 (E_RNA) where: Base-Base interactions energy: -35.859 where: short stacking energy: -34.471 Base-Backbone interact. energy: -0.207 local terms energy: -47.397121 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -3.332 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: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -74.030947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.030947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.030947 (E_RNA) where: Base-Base interactions energy: -29.663 where: short stacking energy: -29.663 Base-Backbone interact. energy: -0.364 local terms energy: -44.004478 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -11.643 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -220.754011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.754011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.754011 (E_RNA) where: Base-Base interactions energy: -148.492 where: short stacking energy: -67.659 Base-Backbone interact. energy: -0.002 local terms energy: -72.260135 where: bonds (distance) C4'-P energy: -14.213 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -14.702 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -20.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -217.040270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.040270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.040270 (E_RNA) where: Base-Base interactions energy: -152.474 where: short stacking energy: -64.664 Base-Backbone interact. energy: -0.789 local terms energy: -63.777223 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -17.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -214.725782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.725782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.725782 (E_RNA) where: Base-Base interactions energy: -141.352 where: short stacking energy: -61.759 Base-Backbone interact. energy: -0.279 local terms energy: -73.094205 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -11.739 tors. eta vs tors. theta energy: -18.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -210.543395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.543395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.543395 (E_RNA) where: Base-Base interactions energy: -141.636 where: short stacking energy: -64.422 Base-Backbone interact. energy: -0.012 local terms energy: -68.894965 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -11.029 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: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -215.351721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.351721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.351721 (E_RNA) where: Base-Base interactions energy: -146.197 where: short stacking energy: -63.370 Base-Backbone interact. energy: -0.289 local terms energy: -68.865864 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -15.852 flat angles P-C4'-P energy: -6.961 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: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -203.667741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.667741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.667741 (E_RNA) where: Base-Base interactions energy: -139.284 where: short stacking energy: -55.923 Base-Backbone interact. energy: -0.620 local terms energy: -63.763929 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -8.020 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: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -120.474649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.474649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.474649 (E_RNA) where: Base-Base interactions energy: -73.056 where: short stacking energy: -33.958 Base-Backbone interact. energy: -0.231 local terms energy: -47.187741 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -11.730 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -6.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -184.768672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.768672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.768672 (E_RNA) where: Base-Base interactions energy: -124.401 where: short stacking energy: -55.004 Base-Backbone interact. energy: -0.325 local terms energy: -60.042478 where: bonds (distance) C4'-P energy: -9.833 bonds (distance) P-C4' energy: -11.365 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -16.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -78.014857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.014857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.014857 (E_RNA) where: Base-Base interactions energy: -24.666 where: short stacking energy: -24.766 Base-Backbone interact. energy: -0.053 local terms energy: -53.295234 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -79.691883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.691883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.691883 (E_RNA) where: Base-Base interactions energy: -27.186 where: short stacking energy: -26.772 Base-Backbone interact. energy: -0.009 local terms energy: -52.497523 where: bonds (distance) C4'-P energy: -13.957 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -220.676699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.676699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.676699 (E_RNA) where: Base-Base interactions energy: -153.409 where: short stacking energy: -70.014 Base-Backbone interact. energy: -0.003 local terms energy: -67.265014 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -11.288 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: 2, replica: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -215.987012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.987012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.987012 (E_RNA) where: Base-Base interactions energy: -144.496 where: short stacking energy: -62.381 Base-Backbone interact. energy: -0.254 local terms energy: -71.237102 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -13.330 flat angles P-C4'-P energy: -10.199 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: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -218.911827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.911827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.911827 (E_RNA) where: Base-Base interactions energy: -144.895 where: short stacking energy: -66.837 Base-Backbone interact. energy: -0.055 local terms energy: -73.962270 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -15.267 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -17.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -208.395690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.395690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.395690 (E_RNA) where: Base-Base interactions energy: -141.952 where: short stacking energy: -63.340 Base-Backbone interact. energy: -0.502 local terms energy: -65.941767 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -6.468 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: 5, replica: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -204.461994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.461994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.461994 (E_RNA) where: Base-Base interactions energy: -137.912 where: short stacking energy: -59.261 Base-Backbone interact. energy: -0.001 local terms energy: -66.549750 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -12.724 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -8.107 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: 6, replica: 3 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -205.892932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.892932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.892932 (E_RNA) where: Base-Base interactions energy: -138.781 where: short stacking energy: -54.126 Base-Backbone interact. energy: 0.720 local terms energy: -67.831407 where: bonds (distance) C4'-P energy: -11.042 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -11.035 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: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -138.613814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.613814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.613814 (E_RNA) where: Base-Base interactions energy: -93.231 where: short stacking energy: -41.262 Base-Backbone interact. energy: -0.407 local terms energy: -44.976412 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -9.935 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -7.589 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: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -123.585025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.585025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.585025 (E_RNA) where: Base-Base interactions energy: -71.936 where: short stacking energy: -44.039 Base-Backbone interact. energy: -0.239 local terms energy: -51.410110 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -10.489 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -10.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -75.392167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.392167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.392167 (E_RNA) where: Base-Base interactions energy: -48.056 where: short stacking energy: -24.817 Base-Backbone interact. energy: -0.194 local terms energy: -27.142015 where: bonds (distance) C4'-P energy: -1.292 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -10.114 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: 7.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -68.617612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.617612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.617612 (E_RNA) where: Base-Base interactions energy: -30.266 where: short stacking energy: -30.266 Base-Backbone interact. energy: -0.050 local terms energy: -38.301794 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -9.197 flat angles P-C4'-P energy: -5.833 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: 1, replica: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -222.237683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.237683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.237683 (E_RNA) where: Base-Base interactions energy: -155.173 where: short stacking energy: -70.015 Base-Backbone interact. energy: -0.374 local terms energy: -66.690293 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -18.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -215.874757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.874757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.874757 (E_RNA) where: Base-Base interactions energy: -148.295 where: short stacking energy: -65.411 Base-Backbone interact. energy: -0.057 local terms energy: -67.523344 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -12.245 tors. eta vs tors. theta energy: -16.823 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: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -219.167030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.167030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.167030 (E_RNA) where: Base-Base interactions energy: -149.901 where: short stacking energy: -68.642 Base-Backbone interact. energy: -1.568 local terms energy: -67.698358 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -11.455 tors. eta vs tors. theta energy: -19.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -216.175955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.175955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.175955 (E_RNA) where: Base-Base interactions energy: -147.314 where: short stacking energy: -71.760 Base-Backbone interact. energy: -0.005 local terms energy: -68.857078 where: bonds (distance) C4'-P energy: -11.563 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -8.554 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: 5, replica: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -209.023418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.023418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.023418 (E_RNA) where: Base-Base interactions energy: -136.422 where: short stacking energy: -62.081 Base-Backbone interact. energy: -0.069 local terms energy: -72.532099 where: bonds (distance) C4'-P energy: -13.827 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -16.518 flat angles P-C4'-P energy: -10.168 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: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -205.117298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.117298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.117298 (E_RNA) where: Base-Base interactions energy: -137.515 where: short stacking energy: -60.453 Base-Backbone interact. energy: -0.138 local terms energy: -67.464297 where: bonds (distance) C4'-P energy: -9.059 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -19.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -179.341493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.341493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.341493 (E_RNA) where: Base-Base interactions energy: -113.154 where: short stacking energy: -45.588 Base-Backbone interact. energy: -0.094 local terms energy: -66.093442 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -13.772 flat angles P-C4'-P energy: -8.366 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: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -86.377111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.377111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.377111 (E_RNA) where: Base-Base interactions energy: -47.831 where: short stacking energy: -13.657 Base-Backbone interact. energy: -0.197 local terms energy: -38.348598 where: bonds (distance) C4'-P energy: -12.718 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: 3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -119.506936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.506936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.506936 (E_RNA) where: Base-Base interactions energy: -73.065 where: short stacking energy: -44.047 Base-Backbone interact. energy: 0.103 local terms energy: -46.545660 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -8.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -68.582227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.582227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.582227 (E_RNA) where: Base-Base interactions energy: -20.402 where: short stacking energy: -19.207 Base-Backbone interact. energy: -0.194 local terms energy: -47.986045 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -12.272 tors. eta vs tors. theta energy: -2.270 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: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -217.141903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.141903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.141903 (E_RNA) where: Base-Base interactions energy: -145.992 where: short stacking energy: -59.759 Base-Backbone interact. energy: 0.032 local terms energy: -71.182235 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -17.063 flat angles C4'-P-C4' energy: -13.260 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: -15.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -221.093503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.093503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.093503 (E_RNA) where: Base-Base interactions energy: -149.634 where: short stacking energy: -69.954 Base-Backbone interact. energy: -0.687 local terms energy: -70.772537 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -12.332 flat angles P-C4'-P energy: -10.105 tors. eta vs tors. theta energy: -20.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -217.659346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.659346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.659346 (E_RNA) where: Base-Base interactions energy: -150.851 where: short stacking energy: -60.091 Base-Backbone interact. energy: -0.579 local terms energy: -66.229733 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -15.329 flat angles P-C4'-P energy: -6.695 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: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -212.907720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.907720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.907720 (E_RNA) where: Base-Base interactions energy: -146.868 where: short stacking energy: -63.580 Base-Backbone interact. energy: -0.001 local terms energy: -66.039210 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -10.737 flat angles P-C4'-P energy: -10.909 tors. eta vs tors. theta energy: -18.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -214.140620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.140620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.140620 (E_RNA) where: Base-Base interactions energy: -145.170 where: short stacking energy: -60.436 Base-Backbone interact. energy: -0.044 local terms energy: -68.926915 where: bonds (distance) C4'-P energy: -11.915 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -18.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -199.835537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.835537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.835537 (E_RNA) where: Base-Base interactions energy: -135.548 where: short stacking energy: -58.723 Base-Backbone interact. energy: -0.111 local terms energy: -64.175935 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -13.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -187.809607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.809607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.809607 (E_RNA) where: Base-Base interactions energy: -125.347 where: short stacking energy: -55.519 Base-Backbone interact. energy: -0.548 local terms energy: -61.914574 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -6.614 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: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -77.227459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.227459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.227459 (E_RNA) where: Base-Base interactions energy: -27.836 where: short stacking energy: -24.550 Base-Backbone interact. energy: -0.058 local terms energy: -49.333660 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -16.140 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -72.617088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.617088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.617088 (E_RNA) where: Base-Base interactions energy: -21.261 where: short stacking energy: -20.813 Base-Backbone interact. energy: -0.478 local terms energy: -50.877934 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -10.457 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -78.123459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.123459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.123459 (E_RNA) where: Base-Base interactions energy: -40.491 where: short stacking energy: -21.083 Base-Backbone interact. energy: -0.343 local terms energy: -37.289821 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -220.676731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.676731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.676731 (E_RNA) where: Base-Base interactions energy: -148.163 where: short stacking energy: -62.239 Base-Backbone interact. energy: -0.444 local terms energy: -72.069883 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -13.285 flat angles P-C4'-P energy: -10.476 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: 2, replica: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -219.399156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.399156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.399156 (E_RNA) where: Base-Base interactions energy: -146.798 where: short stacking energy: -66.599 Base-Backbone interact. energy: -0.001 local terms energy: -72.600677 where: bonds (distance) C4'-P energy: -15.555 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -16.258 flat angles P-C4'-P energy: -8.925 tors. eta vs tors. theta energy: -18.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -211.030747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.030747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.030747 (E_RNA) where: Base-Base interactions energy: -144.462 where: short stacking energy: -52.182 Base-Backbone interact. energy: -0.393 local terms energy: -66.176554 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -9.324 tors. eta vs tors. theta energy: -14.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -207.803920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.803920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.803920 (E_RNA) where: Base-Base interactions energy: -139.922 where: short stacking energy: -58.749 Base-Backbone interact. energy: -0.021 local terms energy: -67.861009 where: bonds (distance) C4'-P energy: -12.028 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -15.921 flat angles P-C4'-P energy: -9.856 tors. eta vs tors. theta energy: -15.234 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: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -206.979778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.979778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.979778 (E_RNA) where: Base-Base interactions energy: -137.017 where: short stacking energy: -53.919 Base-Backbone interact. energy: -0.044 local terms energy: -69.918811 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -15.853 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -14.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -177.870270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.870270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.870270 (E_RNA) where: Base-Base interactions energy: -119.747 where: short stacking energy: -53.585 Base-Backbone interact. energy: -0.013 local terms energy: -58.110890 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -9.082 tors. eta vs tors. theta energy: -12.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -205.124122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.124122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.124122 (E_RNA) where: Base-Base interactions energy: -139.450 where: short stacking energy: -58.251 Base-Backbone interact. energy: -0.194 local terms energy: -65.480363 where: bonds (distance) C4'-P energy: -11.778 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -16.226 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -14.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -76.018408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.018408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.018408 (E_RNA) where: Base-Base interactions energy: -31.093 where: short stacking energy: -31.093 Base-Backbone interact. energy: -0.139 local terms energy: -44.785461 where: bonds (distance) C4'-P energy: -10.997 bonds (distance) P-C4' energy: -11.132 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -79.282785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.282785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.282785 (E_RNA) where: Base-Base interactions energy: -28.082 where: short stacking energy: -28.082 Base-Backbone interact. energy: -0.166 local terms energy: -51.034639 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -6.828 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: 6 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -69.751653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.751653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.751653 (E_RNA) where: Base-Base interactions energy: -25.432 where: short stacking energy: -25.932 Base-Backbone interact. energy: -0.211 local terms energy: -44.108886 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -9.348 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -5.280 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: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -219.221985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.221985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.221985 (E_RNA) where: Base-Base interactions energy: -149.981 where: short stacking energy: -64.586 Base-Backbone interact. energy: -0.008 local terms energy: -69.232709 where: bonds (distance) C4'-P energy: -14.780 bonds (distance) P-C4' energy: -10.298 flat angles C4'-P-C4' energy: -14.761 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -19.004 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: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -220.664156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.664156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.664156 (E_RNA) where: Base-Base interactions energy: -154.617 where: short stacking energy: -69.595 Base-Backbone interact. energy: 0.255 local terms energy: -66.302205 where: bonds (distance) C4'-P energy: -8.748 bonds (distance) P-C4' energy: -11.498 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -11.250 tors. eta vs tors. theta energy: -21.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -216.903689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.903689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.903689 (E_RNA) where: Base-Base interactions energy: -148.209 where: short stacking energy: -63.951 Base-Backbone interact. energy: -0.587 local terms energy: -68.107022 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -12.320 flat angles P-C4'-P energy: -10.077 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: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -213.653510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.653510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.653510 (E_RNA) where: Base-Base interactions energy: -143.969 where: short stacking energy: -61.696 Base-Backbone interact. energy: -0.010 local terms energy: -69.674587 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -19.602 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: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -193.748027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.748027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.748027 (E_RNA) where: Base-Base interactions energy: -126.503 where: short stacking energy: -59.836 Base-Backbone interact. energy: -0.000 local terms energy: -67.244750 where: bonds (distance) C4'-P energy: -12.379 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -9.845 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: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -208.367258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.367258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.367258 (E_RNA) where: Base-Base interactions energy: -140.522 where: short stacking energy: -63.771 Base-Backbone interact. energy: -0.007 local terms energy: -67.839062 where: bonds (distance) C4'-P energy: -13.882 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -7.011 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: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -194.220378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.220378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.220378 (E_RNA) where: Base-Base interactions energy: -125.228 where: short stacking energy: -53.638 Base-Backbone interact. energy: -0.248 local terms energy: -68.744900 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -16.003 flat angles C4'-P-C4' energy: -15.396 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -16.368 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: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -83.458952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.458952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.458952 (E_RNA) where: Base-Base interactions energy: -36.437 where: short stacking energy: -25.991 Base-Backbone interact. energy: -0.248 local terms energy: -46.774257 where: bonds (distance) C4'-P energy: -8.814 bonds (distance) P-C4' energy: -13.978 flat angles C4'-P-C4' energy: -10.217 flat angles P-C4'-P energy: -11.698 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: 9, replica: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -82.606066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.606066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.606066 (E_RNA) where: Base-Base interactions energy: -35.090 where: short stacking energy: -24.462 Base-Backbone interact. energy: -0.110 local terms energy: -47.406708 where: bonds (distance) C4'-P energy: -9.135 bonds (distance) P-C4' energy: -11.010 flat angles C4'-P-C4' energy: -12.644 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -5.139 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: 6 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -77.857129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.857129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.857129 (E_RNA) where: Base-Base interactions energy: -31.744 where: short stacking energy: -31.744 Base-Backbone interact. energy: 0.038 local terms energy: -46.151961 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -7.894 flat angles C4'-P-C4' energy: -15.274 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -5.416 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: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -224.398263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.398263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.398263 (E_RNA) where: Base-Base interactions energy: -151.790 where: short stacking energy: -69.389 Base-Backbone interact. energy: -0.616 local terms energy: -71.991794 where: bonds (distance) C4'-P energy: -14.847 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -19.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -219.169564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.169564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.169564 (E_RNA) where: Base-Base interactions energy: -147.020 where: short stacking energy: -66.383 Base-Backbone interact. energy: -0.597 local terms energy: -71.552058 where: bonds (distance) C4'-P energy: -11.577 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -11.085 tors. eta vs tors. theta energy: -17.672 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: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -219.728296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.728296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.728296 (E_RNA) where: Base-Base interactions energy: -151.732 where: short stacking energy: -67.637 Base-Backbone interact. energy: -0.316 local terms energy: -67.680926 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -20.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -201.394623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.394623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.394623 (E_RNA) where: Base-Base interactions energy: -129.790 where: short stacking energy: -52.548 Base-Backbone interact. energy: -0.240 local terms energy: -71.364923 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -17.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -210.533842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.533842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.533842 (E_RNA) where: Base-Base interactions energy: -145.644 where: short stacking energy: -58.893 Base-Backbone interact. energy: -0.012 local terms energy: -64.877477 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -15.223 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: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -200.831660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.831660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.831660 (E_RNA) where: Base-Base interactions energy: -135.637 where: short stacking energy: -59.402 Base-Backbone interact. energy: -0.172 local terms energy: -65.022905 where: bonds (distance) C4'-P energy: -9.117 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -16.126 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -16.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -196.346119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.346119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.346119 (E_RNA) where: Base-Base interactions energy: -136.674 where: short stacking energy: -62.024 Base-Backbone interact. energy: -0.159 local terms energy: -59.513817 where: bonds (distance) C4'-P energy: -10.321 bonds (distance) P-C4' energy: -10.922 flat angles C4'-P-C4' energy: -11.831 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -19.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -76.695607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.695607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.695607 (E_RNA) where: Base-Base interactions energy: -25.446 where: short stacking energy: -21.462 Base-Backbone interact. energy: -0.042 local terms energy: -51.207485 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -78.127884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.127884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.127884 (E_RNA) where: Base-Base interactions energy: -26.483 where: short stacking energy: -26.783 Base-Backbone interact. energy: -0.998 local terms energy: -50.646940 where: bonds (distance) C4'-P energy: -14.283 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -78.483233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.483233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.483233 (E_RNA) where: Base-Base interactions energy: -32.155 where: short stacking energy: -28.517 Base-Backbone interact. energy: 0.348 local terms energy: -46.676353 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -10.319 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -216.775285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.775285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.775285 (E_RNA) where: Base-Base interactions energy: -143.047 where: short stacking energy: -59.966 Base-Backbone interact. energy: -0.180 local terms energy: -73.547698 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -15.620 flat angles P-C4'-P energy: -12.143 tors. eta vs tors. theta energy: -16.249 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: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -222.961838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.961838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.961838 (E_RNA) where: Base-Base interactions energy: -153.392 where: short stacking energy: -68.172 Base-Backbone interact. energy: -0.007 local terms energy: -69.562641 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -10.196 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -20.061 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: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -212.126391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.126391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.126391 (E_RNA) where: Base-Base interactions energy: -146.376 where: short stacking energy: -67.021 Base-Backbone interact. energy: -0.018 local terms energy: -65.732117 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -8.328 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -18.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -205.427859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.427859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.427859 (E_RNA) where: Base-Base interactions energy: -134.273 where: short stacking energy: -69.184 Base-Backbone interact. energy: -0.017 local terms energy: -71.138228 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: -19.013 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: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -204.231908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.231908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.231908 (E_RNA) where: Base-Base interactions energy: -145.022 where: short stacking energy: -60.174 Base-Backbone interact. energy: -0.094 local terms energy: -59.116319 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -8.207 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -10.176 tors. eta vs tors. theta energy: -16.062 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: 10 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -204.501943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.501943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.501943 (E_RNA) where: Base-Base interactions energy: -138.431 where: short stacking energy: -54.098 Base-Backbone interact. energy: 0.372 local terms energy: -66.443256 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -7.237 tors. eta vs tors. theta energy: -16.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -162.960014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.960014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.960014 (E_RNA) where: Base-Base interactions energy: -109.455 where: short stacking energy: -37.671 Base-Backbone interact. energy: -0.126 local terms energy: -53.378827 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -16.079 flat angles C4'-P-C4' energy: -10.819 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -9.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -77.357644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.357644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.357644 (E_RNA) where: Base-Base interactions energy: -30.404 where: short stacking energy: -30.404 Base-Backbone interact. energy: 0.396 local terms energy: -47.348999 where: bonds (distance) C4'-P energy: -6.293 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -70.142498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.142498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.142498 (E_RNA) where: Base-Base interactions energy: -26.641 where: short stacking energy: -22.435 Base-Backbone interact. energy: -0.195 local terms energy: -43.306148 where: bonds (distance) C4'-P energy: -14.721 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -7.045 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: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -68.699929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.699929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.699929 (E_RNA) where: Base-Base interactions energy: -25.082 where: short stacking energy: -24.394 Base-Backbone interact. energy: -0.105 local terms energy: -43.513282 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -15.454 flat angles P-C4'-P energy: -6.794 tors. eta vs tors. theta energy: 2.467 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: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -222.029456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.029456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.029456 (E_RNA) where: Base-Base interactions energy: -145.097 where: short stacking energy: -68.421 Base-Backbone interact. energy: 0.656 local terms energy: -77.588281 where: bonds (distance) C4'-P energy: -15.980 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -12.852 tors. eta vs tors. theta energy: -20.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -224.207062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.207062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.207062 (E_RNA) where: Base-Base interactions energy: -147.084 where: short stacking energy: -66.147 Base-Backbone interact. energy: -1.816 local terms energy: -75.307867 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -14.152 flat angles P-C4'-P energy: -11.740 tors. eta vs tors. theta energy: -20.943 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: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -211.712203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.712203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.712203 (E_RNA) where: Base-Base interactions energy: -140.337 where: short stacking energy: -63.248 Base-Backbone interact. energy: -0.015 local terms energy: -71.360020 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.822 flat angles P-C4'-P energy: -11.975 tors. eta vs tors. theta energy: -17.184 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: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -214.460537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.460537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.460537 (E_RNA) where: Base-Base interactions energy: -150.818 where: short stacking energy: -68.010 Base-Backbone interact. energy: -0.332 local terms energy: -63.310470 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -8.400 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -12.481 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: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -201.282492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.282492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.282492 (E_RNA) where: Base-Base interactions energy: -134.249 where: short stacking energy: -60.294 Base-Backbone interact. energy: -0.284 local terms energy: -66.750207 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -9.266 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: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -202.531505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.531505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.531505 (E_RNA) where: Base-Base interactions energy: -139.089 where: short stacking energy: -57.029 Base-Backbone interact. energy: -0.083 local terms energy: -63.358821 where: bonds (distance) C4'-P energy: -13.852 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -9.933 tors. eta vs tors. theta energy: -15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -173.794192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.794192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.794192 (E_RNA) where: Base-Base interactions energy: -115.424 where: short stacking energy: -49.217 Base-Backbone interact. energy: -0.176 local terms energy: -58.194222 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -9.254 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -8.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -82.747888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.747888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.747888 (E_RNA) where: Base-Base interactions energy: -33.898 where: short stacking energy: -32.167 Base-Backbone interact. energy: -0.064 local terms energy: -48.786125 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -15.423 flat angles C4'-P-C4' energy: -11.087 flat angles P-C4'-P energy: -8.558 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: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -87.827425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.827425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.827425 (E_RNA) where: Base-Base interactions energy: -33.752 where: short stacking energy: -33.752 Base-Backbone interact. energy: -0.081 local terms energy: -53.993853 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -81.889078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.889078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.889078 (E_RNA) where: Base-Base interactions energy: -35.802 where: short stacking energy: -31.492 Base-Backbone interact. energy: -0.926 local terms energy: -45.160965 where: bonds (distance) C4'-P energy: -10.084 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -220.729388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.729388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.729388 (E_RNA) where: Base-Base interactions energy: -149.300 where: short stacking energy: -61.862 Base-Backbone interact. energy: -0.002 local terms energy: -71.427358 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -10.168 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: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -217.953699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.953699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.953699 (E_RNA) where: Base-Base interactions energy: -146.524 where: short stacking energy: -64.529 Base-Backbone interact. energy: -0.592 local terms energy: -70.837126 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -14.292 flat angles P-C4'-P energy: -10.207 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: 3, replica: 9 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -213.493432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.493432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.493432 (E_RNA) where: Base-Base interactions energy: -141.591 where: short stacking energy: -63.686 Base-Backbone interact. energy: -0.881 local terms energy: -71.022111 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -9.509 tors. eta vs tors. theta energy: -20.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -208.878403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.878403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.878403 (E_RNA) where: Base-Base interactions energy: -144.583 where: short stacking energy: -64.288 Base-Backbone interact. energy: -0.043 local terms energy: -64.252857 where: bonds (distance) C4'-P energy: -11.451 bonds (distance) P-C4' energy: -13.584 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -18.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -199.089899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.089899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.089899 (E_RNA) where: Base-Base interactions energy: -143.791 where: short stacking energy: -62.573 Base-Backbone interact. energy: -0.058 local terms energy: -55.241288 where: bonds (distance) C4'-P energy: -6.687 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -15.364 flat angles P-C4'-P energy: -9.497 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: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -191.275180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.275180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.275180 (E_RNA) where: Base-Base interactions energy: -125.515 where: short stacking energy: -56.424 Base-Backbone interact. energy: -0.007 local terms energy: -65.753079 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -13.276 flat angles P-C4'-P energy: -11.276 tors. eta vs tors. theta energy: -17.081 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: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -173.289788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.289788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.289788 (E_RNA) where: Base-Base interactions energy: -108.023 where: short stacking energy: -48.647 Base-Backbone interact. energy: -0.354 local terms energy: -64.913261 where: bonds (distance) C4'-P energy: -14.822 bonds (distance) P-C4' energy: -14.652 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -13.447 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: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -81.331059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.331059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.331059 (E_RNA) where: Base-Base interactions energy: -29.853 where: short stacking energy: -29.853 Base-Backbone interact. energy: -0.183 local terms energy: -51.294999 where: bonds (distance) C4'-P energy: -9.133 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -8.408 tors. eta vs tors. theta energy: -8.935 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: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -93.034545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.034545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.034545 (E_RNA) where: Base-Base interactions energy: -39.628 where: short stacking energy: -39.628 Base-Backbone interact. energy: -0.087 local terms energy: -53.319422 where: bonds (distance) C4'-P energy: -14.399 bonds (distance) P-C4' energy: -7.923 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -6.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -73.859594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.859594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.859594 (E_RNA) where: Base-Base interactions energy: -30.645 where: short stacking energy: -27.600 Base-Backbone interact. energy: -0.053 local terms energy: -43.161956 where: bonds (distance) C4'-P energy: -13.107 bonds (distance) P-C4' energy: -11.108 flat angles C4'-P-C4' energy: -8.861 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -224.192744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.192744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.192744 (E_RNA) where: Base-Base interactions energy: -146.744 where: short stacking energy: -66.601 Base-Backbone interact. energy: -2.896 local terms energy: -74.552119 where: bonds (distance) C4'-P energy: -15.927 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -14.379 flat angles P-C4'-P energy: -10.367 tors. eta vs tors. theta energy: -19.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -218.065630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.065630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.065630 (E_RNA) where: Base-Base interactions energy: -146.247 where: short stacking energy: -68.205 Base-Backbone interact. energy: -0.012 local terms energy: -71.807441 where: bonds (distance) C4'-P energy: -13.542 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -20.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -218.483883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.483883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.483883 (E_RNA) where: Base-Base interactions energy: -150.395 where: short stacking energy: -65.641 Base-Backbone interact. energy: -0.010 local terms energy: -68.078143 where: bonds (distance) C4'-P energy: -11.159 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -14.475 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -19.380 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: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -207.177793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.177793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.177793 (E_RNA) where: Base-Base interactions energy: -141.436 where: short stacking energy: -62.396 Base-Backbone interact. energy: -0.256 local terms energy: -65.486244 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -13.486 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -14.721 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: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -204.083252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.083252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.083252 (E_RNA) where: Base-Base interactions energy: -139.281 where: short stacking energy: -61.860 Base-Backbone interact. energy: -0.012 local terms energy: -64.790781 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -7.252 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: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -175.330086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.330086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.330086 (E_RNA) where: Base-Base interactions energy: -119.288 where: short stacking energy: -66.370 Base-Backbone interact. energy: -0.007 local terms energy: -56.034664 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -17.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -175.381367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.381367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.381367 (E_RNA) where: Base-Base interactions energy: -114.129 where: short stacking energy: -53.426 Base-Backbone interact. energy: 0.689 local terms energy: -61.941233 where: bonds (distance) C4'-P energy: -14.664 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -8.447 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: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -71.791579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.791579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.791579 (E_RNA) where: Base-Base interactions energy: -24.428 where: short stacking energy: -21.151 Base-Backbone interact. energy: -0.219 local terms energy: -47.144677 where: bonds (distance) C4'-P energy: -11.968 bonds (distance) P-C4' energy: -10.003 flat angles C4'-P-C4' energy: -14.849 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -69.977648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.977648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.977648 (E_RNA) where: Base-Base interactions energy: -27.141 where: short stacking energy: -26.621 Base-Backbone interact. energy: -0.004 local terms energy: -42.832831 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -11.021 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -5.351 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: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -84.795037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.795037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.795037 (E_RNA) where: Base-Base interactions energy: -31.890 where: short stacking energy: -31.890 Base-Backbone interact. energy: -0.090 local terms energy: -52.816016 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -9.642 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -6.236 tors. eta vs tors. theta energy: -9.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -221.066785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.066785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.066785 (E_RNA) where: Base-Base interactions energy: -146.311 where: short stacking energy: -66.735 Base-Backbone interact. energy: -0.018 local terms energy: -74.737849 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -11.795 tors. eta vs tors. theta energy: -19.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -223.741671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.741671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.741671 (E_RNA) where: Base-Base interactions energy: -152.472 where: short stacking energy: -67.340 Base-Backbone interact. energy: -2.766 local terms energy: -68.502918 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -10.076 tors. eta vs tors. theta energy: -19.139 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: 3, replica: 9 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -215.678793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.678793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.678793 (E_RNA) where: Base-Base interactions energy: -144.679 where: short stacking energy: -59.861 Base-Backbone interact. energy: -0.310 local terms energy: -70.689590 where: bonds (distance) C4'-P energy: -15.086 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -7.965 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: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -214.031626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.031626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.031626 (E_RNA) where: Base-Base interactions energy: -141.593 where: short stacking energy: -60.634 Base-Backbone interact. energy: -0.592 local terms energy: -71.846122 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -15.624 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -18.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -205.928127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.928127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.928127 (E_RNA) where: Base-Base interactions energy: -139.304 where: short stacking energy: -62.531 Base-Backbone interact. energy: -0.052 local terms energy: -66.572115 where: bonds (distance) C4'-P energy: -11.493 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: -20.627 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: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -171.555799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.555799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.555799 (E_RNA) where: Base-Base interactions energy: -111.186 where: short stacking energy: -43.826 Base-Backbone interact. energy: -0.102 local terms energy: -60.267476 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -12.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -90.143506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.143506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.143506 (E_RNA) where: Base-Base interactions energy: -37.613 where: short stacking energy: -37.613 Base-Backbone interact. energy: -0.183 local terms energy: -52.347459 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -9.212 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -8.355 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -163.704285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.704285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.704285 (E_RNA) where: Base-Base interactions energy: -106.260 where: short stacking energy: -51.612 Base-Backbone interact. energy: -0.941 local terms energy: -56.502980 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -11.109 tors. eta vs tors. theta energy: -10.848 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: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -72.816192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.816192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.816192 (E_RNA) where: Base-Base interactions energy: -23.429 where: short stacking energy: -23.429 Base-Backbone interact. energy: -0.108 local terms energy: -49.279096 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -15.157 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -1.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -69.414509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.414509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.414509 (E_RNA) where: Base-Base interactions energy: -34.315 where: short stacking energy: -21.110 Base-Backbone interact. energy: -0.038 local terms energy: -35.061981 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -15.828 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: 2.696 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: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -225.384942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.384942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.384942 (E_RNA) where: Base-Base interactions energy: -153.233 where: short stacking energy: -70.321 Base-Backbone interact. energy: -0.078 local terms energy: -72.074799 where: bonds (distance) C4'-P energy: -10.620 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -17.105 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -20.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -218.576109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.576109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.576109 (E_RNA) where: Base-Base interactions energy: -142.157 where: short stacking energy: -67.807 Base-Backbone interact. energy: -0.009 local terms energy: -76.410661 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -20.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -221.360079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.360079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.360079 (E_RNA) where: Base-Base interactions energy: -148.815 where: short stacking energy: -64.541 Base-Backbone interact. energy: -0.104 local terms energy: -72.440952 where: bonds (distance) C4'-P energy: -14.375 bonds (distance) P-C4' energy: -15.959 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -18.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -203.285800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.285800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.285800 (E_RNA) where: Base-Base interactions energy: -137.445 where: short stacking energy: -56.280 Base-Backbone interact. energy: -0.075 local terms energy: -65.765713 where: bonds (distance) C4'-P energy: -9.025 bonds (distance) P-C4' energy: -14.387 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -9.198 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: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -202.661432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.661432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.661432 (E_RNA) where: Base-Base interactions energy: -141.226 where: short stacking energy: -61.152 Base-Backbone interact. energy: -0.659 local terms energy: -60.776310 where: bonds (distance) C4'-P energy: -9.254 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -9.404 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: 6, replica: 4 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -170.616791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.616791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.616791 (E_RNA) where: Base-Base interactions energy: -117.848 where: short stacking energy: -54.761 Base-Backbone interact. energy: -0.053 local terms energy: -52.715207 where: bonds (distance) C4'-P energy: -11.981 bonds (distance) P-C4' energy: -9.026 flat angles C4'-P-C4' energy: -10.635 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -14.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -94.236931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.236931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.236931 (E_RNA) where: Base-Base interactions energy: -33.214 where: short stacking energy: -33.214 Base-Backbone interact. energy: -0.032 local terms energy: -60.990659 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -15.479 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -8.654 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: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -181.249233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.249233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.249233 (E_RNA) where: Base-Base interactions energy: -121.637 where: short stacking energy: -49.424 Base-Backbone interact. energy: -0.002 local terms energy: -59.610442 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -5.593 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: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -74.418745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.418745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.418745 (E_RNA) where: Base-Base interactions energy: -32.153 where: short stacking energy: -32.153 Base-Backbone interact. energy: -0.008 local terms energy: -42.258172 where: bonds (distance) C4'-P energy: -11.637 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -1.084 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: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -68.098417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.098417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.098417 (E_RNA) where: Base-Base interactions energy: -18.860 where: short stacking energy: -18.860 Base-Backbone interact. energy: -0.268 local terms energy: -48.970304 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -4.335 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: 116 Temperature: 0.900000 Total energy: -220.549991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.549991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.549991 (E_RNA) where: Base-Base interactions energy: -150.485 where: short stacking energy: -63.267 Base-Backbone interact. energy: -0.052 local terms energy: -70.012928 where: bonds (distance) C4'-P energy: -13.534 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -15.975 flat angles P-C4'-P energy: -10.758 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: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -222.880580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.880580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.880580 (E_RNA) where: Base-Base interactions energy: -150.985 where: short stacking energy: -66.150 Base-Backbone interact. energy: -0.010 local terms energy: -71.886332 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -15.873 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -20.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -214.761253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.761253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.761253 (E_RNA) where: Base-Base interactions energy: -147.145 where: short stacking energy: -62.411 Base-Backbone interact. energy: -1.343 local terms energy: -66.272660 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -11.541 tors. eta vs tors. theta energy: -19.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -215.087501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.087501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.087501 (E_RNA) where: Base-Base interactions energy: -146.637 where: short stacking energy: -61.489 Base-Backbone interact. energy: -0.336 local terms energy: -68.115100 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -11.232 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: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -202.422576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.422576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.422576 (E_RNA) where: Base-Base interactions energy: -135.890 where: short stacking energy: -58.916 Base-Backbone interact. energy: -0.032 local terms energy: -66.500355 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -11.909 tors. eta vs tors. theta energy: -17.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -167.800086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.800086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.800086 (E_RNA) where: Base-Base interactions energy: -108.169 where: short stacking energy: -46.632 Base-Backbone interact. energy: -0.002 local terms energy: -59.629683 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -15.941 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -15.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -187.711976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.711976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.711976 (E_RNA) where: Base-Base interactions energy: -122.541 where: short stacking energy: -52.352 Base-Backbone interact. energy: -0.643 local terms energy: -64.528253 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -11.800 flat angles C4'-P-C4' energy: -11.538 flat angles P-C4'-P energy: -12.599 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: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -80.238229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.238229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.238229 (E_RNA) where: Base-Base interactions energy: -33.842 where: short stacking energy: -32.651 Base-Backbone interact. energy: -0.068 local terms energy: -46.328084 where: bonds (distance) C4'-P energy: -12.354 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -86.382605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.382605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.382605 (E_RNA) where: Base-Base interactions energy: -32.712 where: short stacking energy: -30.224 Base-Backbone interact. energy: -0.155 local terms energy: -53.515469 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -10.906 flat angles P-C4'-P energy: -8.959 tors. eta vs tors. theta energy: -8.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -73.476764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.476764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.476764 (E_RNA) where: Base-Base interactions energy: -27.491 where: short stacking energy: -21.284 Base-Backbone interact. energy: -0.169 local terms energy: -45.816259 where: bonds (distance) C4'-P energy: -15.083 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -3.337 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: 1, replica: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -222.553946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.553946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.553946 (E_RNA) where: Base-Base interactions energy: -149.072 where: short stacking energy: -66.213 Base-Backbone interact. energy: -0.872 local terms energy: -72.609764 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -12.614 tors. eta vs tors. theta energy: -17.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -215.347183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.347183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.347183 (E_RNA) where: Base-Base interactions energy: -139.069 where: short stacking energy: -64.264 Base-Backbone interact. energy: -0.028 local terms energy: -76.251008 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -12.193 tors. eta vs tors. theta energy: -20.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -214.495855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.495855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.495855 (E_RNA) where: Base-Base interactions energy: -146.260 where: short stacking energy: -66.397 Base-Backbone interact. energy: -0.579 local terms energy: -67.656742 where: bonds (distance) C4'-P energy: -8.948 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -10.695 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: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -215.326857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.326857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.326857 (E_RNA) where: Base-Base interactions energy: -140.534 where: short stacking energy: -60.463 Base-Backbone interact. energy: -1.126 local terms energy: -73.666869 where: bonds (distance) C4'-P energy: -15.927 bonds (distance) P-C4' energy: -14.494 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -12.090 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: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -198.350921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.350921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.350921 (E_RNA) where: Base-Base interactions energy: -142.834 where: short stacking energy: -61.140 Base-Backbone interact. energy: 1.149 local terms energy: -56.666345 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -12.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -183.277739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.277739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.277739 (E_RNA) where: Base-Base interactions energy: -117.742 where: short stacking energy: -53.599 Base-Backbone interact. energy: -0.157 local terms energy: -65.378734 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -17.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -171.171626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.171626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.171626 (E_RNA) where: Base-Base interactions energy: -123.683 where: short stacking energy: -53.793 Base-Backbone interact. energy: -0.112 local terms energy: -47.376503 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -5.221 flat angles C4'-P-C4' energy: -15.080 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: -12.889 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: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -81.952371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.952371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.952371 (E_RNA) where: Base-Base interactions energy: -34.201 where: short stacking energy: -32.325 Base-Backbone interact. energy: -0.080 local terms energy: -47.671314 where: bonds (distance) C4'-P energy: -11.778 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -10.174 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -8.212 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: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -92.500027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.500027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.500027 (E_RNA) where: Base-Base interactions energy: -42.487 where: short stacking energy: -32.557 Base-Backbone interact. energy: -0.181 local terms energy: -49.832225 where: bonds (distance) C4'-P energy: -9.023 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -72.571403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.571403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.571403 (E_RNA) where: Base-Base interactions energy: -29.355 where: short stacking energy: -29.355 Base-Backbone interact. energy: -0.193 local terms energy: -43.023111 where: bonds (distance) C4'-P energy: -10.802 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -226.447419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.447419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.447419 (E_RNA) where: Base-Base interactions energy: -157.848 where: short stacking energy: -71.931 Base-Backbone interact. energy: -0.002 local terms energy: -68.596785 where: bonds (distance) C4'-P energy: -11.862 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.765 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -17.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -221.989268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.989268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.989268 (E_RNA) where: Base-Base interactions energy: -148.766 where: short stacking energy: -62.740 Base-Backbone interact. energy: -0.001 local terms energy: -73.222038 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -16.388 flat angles P-C4'-P energy: -9.438 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: 3, replica: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -219.585367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.585367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.585367 (E_RNA) where: Base-Base interactions energy: -147.674 where: short stacking energy: -63.921 Base-Backbone interact. energy: -0.507 local terms energy: -71.404025 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -14.431 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -18.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -211.494866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.494866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.494866 (E_RNA) where: Base-Base interactions energy: -135.965 where: short stacking energy: -59.681 Base-Backbone interact. energy: -0.016 local terms energy: -75.513306 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -13.067 tors. eta vs tors. theta energy: -17.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -198.691095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.691095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.691095 (E_RNA) where: Base-Base interactions energy: -134.191 where: short stacking energy: -66.262 Base-Backbone interact. energy: -0.021 local terms energy: -64.478974 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -17.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -192.418271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.418271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.418271 (E_RNA) where: Base-Base interactions energy: -130.016 where: short stacking energy: -54.154 Base-Backbone interact. energy: -0.583 local terms energy: -61.819784 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -11.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -156.088614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.088614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.088614 (E_RNA) where: Base-Base interactions energy: -96.749 where: short stacking energy: -49.446 Base-Backbone interact. energy: -0.086 local terms energy: -59.253210 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -12.351 tors. eta vs tors. theta energy: -9.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -81.272990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.272990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.272990 (E_RNA) where: Base-Base interactions energy: -31.514 where: short stacking energy: -31.514 Base-Backbone interact. energy: -0.069 local terms energy: -49.690262 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -15.172 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -5.250 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: 9, replica: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -105.516488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.516488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.516488 (E_RNA) where: Base-Base interactions energy: -53.730 where: short stacking energy: -21.579 Base-Backbone interact. energy: -0.188 local terms energy: -51.599024 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -10.844 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -75.173898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.173898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.173898 (E_RNA) where: Base-Base interactions energy: -28.409 where: short stacking energy: -26.998 Base-Backbone interact. energy: -0.096 local terms energy: -46.668626 where: bonds (distance) C4'-P energy: -8.781 bonds (distance) P-C4' energy: -14.294 flat angles C4'-P-C4' energy: -11.071 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -7.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -219.292964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.292964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.292964 (E_RNA) where: Base-Base interactions energy: -146.488 where: short stacking energy: -64.145 Base-Backbone interact. energy: -0.512 local terms energy: -72.292600 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -16.147 flat angles P-C4'-P energy: -11.472 tors. eta vs tors. theta energy: -17.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -219.906144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.906144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.906144 (E_RNA) where: Base-Base interactions energy: -149.202 where: short stacking energy: -62.946 Base-Backbone interact. energy: -0.104 local terms energy: -70.600366 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -11.748 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: 3, replica: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -209.613079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.613079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.613079 (E_RNA) where: Base-Base interactions energy: -144.998 where: short stacking energy: -61.546 Base-Backbone interact. energy: -0.086 local terms energy: -64.528420 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -10.102 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: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -214.092389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.092389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.092389 (E_RNA) where: Base-Base interactions energy: -147.420 where: short stacking energy: -57.823 Base-Backbone interact. energy: -0.123 local terms energy: -66.549464 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -11.058 tors. eta vs tors. theta energy: -14.895 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: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -193.846975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.846975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.846975 (E_RNA) where: Base-Base interactions energy: -124.155 where: short stacking energy: -53.262 Base-Backbone interact. energy: -0.009 local terms energy: -69.682929 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -17.028 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: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -203.596890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.596890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.596890 (E_RNA) where: Base-Base interactions energy: -136.450 where: short stacking energy: -60.427 Base-Backbone interact. energy: -0.004 local terms energy: -67.142905 where: bonds (distance) C4'-P energy: -10.166 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -9.919 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: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -203.266506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.266506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.266506 (E_RNA) where: Base-Base interactions energy: -137.144 where: short stacking energy: -62.032 Base-Backbone interact. energy: -2.087 local terms energy: -64.035699 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -19.052 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: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -93.661432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.661432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.661432 (E_RNA) where: Base-Base interactions energy: -38.696 where: short stacking energy: -38.696 Base-Backbone interact. energy: -0.035 local terms energy: -54.930989 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -9.893 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -10.392 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: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -79.817976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.817976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.817976 (E_RNA) where: Base-Base interactions energy: -37.139 where: short stacking energy: -36.425 Base-Backbone interact. energy: -0.136 local terms energy: -42.543137 where: bonds (distance) C4'-P energy: -8.835 bonds (distance) P-C4' energy: -11.297 flat angles C4'-P-C4' energy: -11.819 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -8.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -69.972309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.972309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.972309 (E_RNA) where: Base-Base interactions energy: -28.211 where: short stacking energy: -21.989 Base-Backbone interact. energy: -0.195 local terms energy: -41.565599 where: bonds (distance) C4'-P energy: -8.198 bonds (distance) P-C4' energy: -16.097 flat angles C4'-P-C4' energy: -12.001 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -0.252 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: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -217.172921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.172921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.172921 (E_RNA) where: Base-Base interactions energy: -148.842 where: short stacking energy: -69.037 Base-Backbone interact. energy: -0.065 local terms energy: -68.265912 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -11.040 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: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -217.090042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.090042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.090042 (E_RNA) where: Base-Base interactions energy: -141.974 where: short stacking energy: -64.107 Base-Backbone interact. energy: -0.002 local terms energy: -75.113737 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -12.676 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: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -211.571905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.571905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.571905 (E_RNA) where: Base-Base interactions energy: -148.823 where: short stacking energy: -63.752 Base-Backbone interact. energy: -0.008 local terms energy: -62.740859 where: bonds (distance) C4'-P energy: -8.413 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -10.961 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -20.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -204.557615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.557615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.557615 (E_RNA) where: Base-Base interactions energy: -143.869 where: short stacking energy: -59.840 Base-Backbone interact. energy: -0.267 local terms energy: -60.421027 where: bonds (distance) C4'-P energy: -7.762 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -11.842 tors. eta vs tors. theta energy: -13.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -207.609084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.609084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.609084 (E_RNA) where: Base-Base interactions energy: -139.199 where: short stacking energy: -55.740 Base-Backbone interact. energy: -0.922 local terms energy: -67.488890 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -9.852 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: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -197.111975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.111975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.111975 (E_RNA) where: Base-Base interactions energy: -132.663 where: short stacking energy: -57.497 Base-Backbone interact. energy: -0.029 local terms energy: -64.419478 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -11.880 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -17.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -87.156679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.156679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.156679 (E_RNA) where: Base-Base interactions energy: -43.935 where: short stacking energy: -29.950 Base-Backbone interact. energy: 0.044 local terms energy: -43.265809 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -195.816200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.816200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.816200 (E_RNA) where: Base-Base interactions energy: -131.700 where: short stacking energy: -54.702 Base-Backbone interact. energy: -0.048 local terms energy: -64.068287 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -10.400 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -8.587 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: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -71.683068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.683068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.683068 (E_RNA) where: Base-Base interactions energy: -33.258 where: short stacking energy: -33.258 Base-Backbone interact. energy: 0.553 local terms energy: -38.977835 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -0.422 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: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -78.471349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.471349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.471349 (E_RNA) where: Base-Base interactions energy: -26.322 where: short stacking energy: -26.322 Base-Backbone interact. energy: 0.099 local terms energy: -52.248455 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -224.062040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.062040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.062040 (E_RNA) where: Base-Base interactions energy: -151.178 where: short stacking energy: -67.890 Base-Backbone interact. energy: -0.000 local terms energy: -72.883850 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -16.117 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -19.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -221.708154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.708154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.708154 (E_RNA) where: Base-Base interactions energy: -144.919 where: short stacking energy: -64.517 Base-Backbone interact. energy: -1.737 local terms energy: -75.052531 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -11.756 tors. eta vs tors. theta energy: -18.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -219.164163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.164163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.164163 (E_RNA) where: Base-Base interactions energy: -150.437 where: short stacking energy: -67.621 Base-Backbone interact. energy: -0.123 local terms energy: -68.604529 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -11.211 flat angles P-C4'-P energy: -11.033 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: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -212.657264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.657264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.657264 (E_RNA) where: Base-Base interactions energy: -145.820 where: short stacking energy: -64.750 Base-Backbone interact. energy: -0.011 local terms energy: -66.825874 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -213.861425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.861425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.861425 (E_RNA) where: Base-Base interactions energy: -148.238 where: short stacking energy: -65.394 Base-Backbone interact. energy: 0.239 local terms energy: -65.862646 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -11.481 flat angles P-C4'-P energy: -9.240 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: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -190.188240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.188240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.188240 (E_RNA) where: Base-Base interactions energy: -127.972 where: short stacking energy: -56.285 Base-Backbone interact. energy: -0.007 local terms energy: -62.209209 where: bonds (distance) C4'-P energy: -10.171 bonds (distance) P-C4' energy: -9.559 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -11.073 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: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -117.044093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.044093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.044093 (E_RNA) where: Base-Base interactions energy: -68.357 where: short stacking energy: -41.755 Base-Backbone interact. energy: -0.244 local terms energy: -48.442333 where: bonds (distance) C4'-P energy: -11.260 bonds (distance) P-C4' energy: -12.813 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -8.574 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: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -185.052250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.052250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.052250 (E_RNA) where: Base-Base interactions energy: -121.474 where: short stacking energy: -51.767 Base-Backbone interact. energy: -0.073 local terms energy: -63.505701 where: bonds (distance) C4'-P energy: -12.055 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -9.959 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: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -127.027798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.027798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.027798 (E_RNA) where: Base-Base interactions energy: -78.141 where: short stacking energy: -44.438 Base-Backbone interact. energy: 0.241 local terms energy: -49.127813 where: bonds (distance) C4'-P energy: -9.303 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -9.832 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -8.879 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: 121 Temperature: 1.350000 Total energy: -72.474750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.474750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.474750 (E_RNA) where: Base-Base interactions energy: -27.908 where: short stacking energy: -20.303 Base-Backbone interact. energy: -0.102 local terms energy: -44.464714 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -15.950 flat angles C4'-P-C4' energy: -10.083 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -0.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -222.652977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.652977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.652977 (E_RNA) where: Base-Base interactions energy: -151.811 where: short stacking energy: -72.305 Base-Backbone interact. energy: -0.011 local terms energy: -70.830841 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -12.685 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -9.802 tors. eta vs tors. theta energy: -21.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -216.986219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.986219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.986219 (E_RNA) where: Base-Base interactions energy: -155.956 where: short stacking energy: -65.150 Base-Backbone interact. energy: -0.606 local terms energy: -60.423800 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -10.547 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -9.425 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: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -217.217905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.217905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.217905 (E_RNA) where: Base-Base interactions energy: -153.669 where: short stacking energy: -67.967 Base-Backbone interact. energy: -0.001 local terms energy: -63.547780 where: bonds (distance) C4'-P energy: -9.009 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -17.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -207.291216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.291216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.291216 (E_RNA) where: Base-Base interactions energy: -142.873 where: short stacking energy: -59.236 Base-Backbone interact. energy: -0.001 local terms energy: -64.416605 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -7.921 flat angles C4'-P-C4' energy: -14.786 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -18.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -197.819702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.819702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.819702 (E_RNA) where: Base-Base interactions energy: -134.826 where: short stacking energy: -61.561 Base-Backbone interact. energy: -0.019 local terms energy: -62.975161 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -8.374 flat angles C4'-P-C4' energy: -15.761 flat angles P-C4'-P energy: -8.664 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: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -205.932146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.932146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.932146 (E_RNA) where: Base-Base interactions energy: -137.676 where: short stacking energy: -57.480 Base-Backbone interact. energy: -0.001 local terms energy: -68.255817 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -14.355 flat angles P-C4'-P energy: -11.028 tors. eta vs tors. theta energy: -15.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -156.062548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.062548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.062548 (E_RNA) where: Base-Base interactions energy: -94.268 where: short stacking energy: -37.114 Base-Backbone interact. energy: -0.173 local terms energy: -61.621357 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -16.314 flat angles P-C4'-P energy: -10.536 tors. eta vs tors. theta energy: -6.576 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: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -109.524397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.524397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.524397 (E_RNA) where: Base-Base interactions energy: -66.850 where: short stacking energy: -34.337 Base-Backbone interact. energy: -0.132 local terms energy: -42.541905 where: bonds (distance) C4'-P energy: -8.643 bonds (distance) P-C4' energy: -11.841 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -117.530156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.530156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.530156 (E_RNA) where: Base-Base interactions energy: -72.485 where: short stacking energy: -38.908 Base-Backbone interact. energy: -0.963 local terms energy: -44.082185 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -14.346 flat angles P-C4'-P energy: 1.760 tors. eta vs tors. theta energy: -9.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -72.995009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.995009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.995009 (E_RNA) where: Base-Base interactions energy: -23.852 where: short stacking energy: -23.626 Base-Backbone interact. energy: -0.103 local terms energy: -49.040129 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -8.227 tors. eta vs tors. theta energy: -6.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -228.424807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.424807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.424807 (E_RNA) where: Base-Base interactions energy: -157.898 where: short stacking energy: -71.264 Base-Backbone interact. energy: -0.729 local terms energy: -69.797257 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -19.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -221.349460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.349460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.349460 (E_RNA) where: Base-Base interactions energy: -152.693 where: short stacking energy: -71.346 Base-Backbone interact. energy: -3.402 local terms energy: -65.255040 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -9.017 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -8.089 tors. eta vs tors. theta energy: -21.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -218.319808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.319808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.319808 (E_RNA) where: Base-Base interactions energy: -142.371 where: short stacking energy: -64.903 Base-Backbone interact. energy: -0.082 local terms energy: -75.866465 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -15.382 flat angles P-C4'-P energy: -12.821 tors. eta vs tors. theta energy: -19.578 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: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -203.368224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.368224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.368224 (E_RNA) where: Base-Base interactions energy: -140.308 where: short stacking energy: -63.570 Base-Backbone interact. energy: -0.003 local terms energy: -63.057464 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -17.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -208.014582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.014582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.014582 (E_RNA) where: Base-Base interactions energy: -143.183 where: short stacking energy: -60.496 Base-Backbone interact. energy: -0.002 local terms energy: -64.830443 where: bonds (distance) C4'-P energy: -14.387 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -15.613 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: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -194.556052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.556052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.556052 (E_RNA) where: Base-Base interactions energy: -134.431 where: short stacking energy: -54.128 Base-Backbone interact. energy: -0.794 local terms energy: -59.331082 where: bonds (distance) C4'-P energy: -15.529 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -12.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -164.340507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.340507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.340507 (E_RNA) where: Base-Base interactions energy: -107.304 where: short stacking energy: -43.836 Base-Backbone interact. energy: -0.329 local terms energy: -56.707585 where: bonds (distance) C4'-P energy: -15.580 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -12.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -113.654941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.654941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.654941 (E_RNA) where: Base-Base interactions energy: -68.846 where: short stacking energy: -28.810 Base-Backbone interact. energy: -0.267 local terms energy: -44.542251 where: bonds (distance) C4'-P energy: -9.721 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -9.354 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -75.993938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.993938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.993938 (E_RNA) where: Base-Base interactions energy: -31.353 where: short stacking energy: -26.554 Base-Backbone interact. energy: -0.077 local terms energy: -44.563273 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -9.119 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -84.753311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.753311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.753311 (E_RNA) where: Base-Base interactions energy: -44.142 where: short stacking energy: -44.142 Base-Backbone interact. energy: -0.011 local terms energy: -40.600519 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -9.396 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -10.700 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: 9 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -225.921649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.921649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.921649 (E_RNA) where: Base-Base interactions energy: -149.813 where: short stacking energy: -68.653 Base-Backbone interact. energy: -0.008 local terms energy: -76.100580 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -13.862 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: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -222.296309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.296309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.296309 (E_RNA) where: Base-Base interactions energy: -151.113 where: short stacking energy: -70.140 Base-Backbone interact. energy: -0.486 local terms energy: -70.697221 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -20.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -215.008773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.008773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.008773 (E_RNA) where: Base-Base interactions energy: -143.711 where: short stacking energy: -67.819 Base-Backbone interact. energy: -0.022 local terms energy: -71.275455 where: bonds (distance) C4'-P energy: -12.226 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -19.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -213.902538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.902538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.902538 (E_RNA) where: Base-Base interactions energy: -146.885 where: short stacking energy: -69.330 Base-Backbone interact. energy: -0.080 local terms energy: -66.938018 where: bonds (distance) C4'-P energy: -10.856 bonds (distance) P-C4' energy: -12.418 flat angles C4'-P-C4' energy: -15.964 flat angles P-C4'-P energy: -9.277 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: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -210.035421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.035421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.035421 (E_RNA) where: Base-Base interactions energy: -142.210 where: short stacking energy: -62.501 Base-Backbone interact. energy: -0.010 local terms energy: -67.815411 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -11.794 flat angles P-C4'-P energy: -12.068 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: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -207.919118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.919118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.919118 (E_RNA) where: Base-Base interactions energy: -148.130 where: short stacking energy: -64.563 Base-Backbone interact. energy: -0.765 local terms energy: -59.024423 where: bonds (distance) C4'-P energy: -11.270 bonds (distance) P-C4' energy: -11.664 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -17.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -194.494621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.494621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.494621 (E_RNA) where: Base-Base interactions energy: -136.934 where: short stacking energy: -55.598 Base-Backbone interact. energy: 0.041 local terms energy: -57.602390 where: bonds (distance) C4'-P energy: -7.654 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -8.819 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: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -111.766165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.766165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.766165 (E_RNA) where: Base-Base interactions energy: -65.773 where: short stacking energy: -30.635 Base-Backbone interact. energy: -0.243 local terms energy: -45.750355 where: bonds (distance) C4'-P energy: -10.272 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -64.149161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.149161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.149161 (E_RNA) where: Base-Base interactions energy: -24.379 where: short stacking energy: -24.379 Base-Backbone interact. energy: -0.151 local terms energy: -39.619228 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -0.142 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: 6 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -76.706981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.706981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.706981 (E_RNA) where: Base-Base interactions energy: -29.171 where: short stacking energy: -29.171 Base-Backbone interact. energy: -0.048 local terms energy: -47.487187 where: bonds (distance) C4'-P energy: -10.395 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -10.872 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -8.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -221.736757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.736757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.736757 (E_RNA) where: Base-Base interactions energy: -148.322 where: short stacking energy: -65.834 Base-Backbone interact. energy: -0.206 local terms energy: -73.209103 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -16.239 flat angles C4'-P-C4' energy: -15.403 flat angles P-C4'-P energy: -11.178 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: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -209.387586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.387586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.387586 (E_RNA) where: Base-Base interactions energy: -141.138 where: short stacking energy: -67.590 Base-Backbone interact. energy: -0.101 local terms energy: -68.148551 where: bonds (distance) C4'-P energy: -11.670 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -15.148 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -18.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -220.755776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.755776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.755776 (E_RNA) where: Base-Base interactions energy: -149.281 where: short stacking energy: -63.628 Base-Backbone interact. energy: -0.185 local terms energy: -71.289711 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -9.955 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -20.222 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: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -214.111096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.111096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.111096 (E_RNA) where: Base-Base interactions energy: -148.475 where: short stacking energy: -65.559 Base-Backbone interact. energy: -0.018 local terms energy: -65.618496 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -10.679 tors. eta vs tors. theta energy: -18.869 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: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -201.545925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.545925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.545925 (E_RNA) where: Base-Base interactions energy: -140.207 where: short stacking energy: -63.419 Base-Backbone interact. energy: -0.314 local terms energy: -61.025269 where: bonds (distance) C4'-P energy: -10.304 bonds (distance) P-C4' energy: -11.183 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -8.407 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: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -202.988611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.988611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.988611 (E_RNA) where: Base-Base interactions energy: -142.236 where: short stacking energy: -56.600 Base-Backbone interact. energy: -0.054 local terms energy: -60.698738 where: bonds (distance) C4'-P energy: -7.333 bonds (distance) P-C4' energy: -13.498 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -9.251 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: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -200.003231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.003231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.003231 (E_RNA) where: Base-Base interactions energy: -137.175 where: short stacking energy: -61.894 Base-Backbone interact. energy: -0.579 local terms energy: -62.249408 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -11.079 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -9.208 tors. eta vs tors. theta energy: -20.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -79.843624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.843624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.843624 (E_RNA) where: Base-Base interactions energy: -30.582 where: short stacking energy: -30.582 Base-Backbone interact. energy: -0.000 local terms energy: -49.261352 where: bonds (distance) C4'-P energy: -8.377 bonds (distance) P-C4' energy: -12.840 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -9.161 tors. eta vs tors. theta energy: -5.795 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: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -157.211666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.211666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.211666 (E_RNA) where: Base-Base interactions energy: -101.715 where: short stacking energy: -44.305 Base-Backbone interact. energy: 1.008 local terms energy: -56.504931 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -9.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -78.352627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.352627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.352627 (E_RNA) where: Base-Base interactions energy: -31.773 where: short stacking energy: -31.773 Base-Backbone interact. energy: -0.048 local terms energy: -46.531824 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -9.489 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -5.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -218.984839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.984839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.984839 (E_RNA) where: Base-Base interactions energy: -151.588 where: short stacking energy: -59.984 Base-Backbone interact. energy: -0.019 local terms energy: -67.377759 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -15.658 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: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -206.172155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.172155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.172155 (E_RNA) where: Base-Base interactions energy: -147.122 where: short stacking energy: -64.792 Base-Backbone interact. energy: -0.120 local terms energy: -58.930774 where: bonds (distance) C4'-P energy: -10.838 bonds (distance) P-C4' energy: -10.935 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -15.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -213.469773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.469773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.469773 (E_RNA) where: Base-Base interactions energy: -144.923 where: short stacking energy: -62.471 Base-Backbone interact. energy: -0.017 local terms energy: -68.529520 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -15.668 flat angles P-C4'-P energy: -8.902 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: 4, replica: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -208.845974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.845974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.845974 (E_RNA) where: Base-Base interactions energy: -147.035 where: short stacking energy: -63.812 Base-Backbone interact. energy: -0.092 local terms energy: -61.718984 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -10.731 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -6.878 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: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -209.871647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.871647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.871647 (E_RNA) where: Base-Base interactions energy: -144.524 where: short stacking energy: -57.233 Base-Backbone interact. energy: 0.433 local terms energy: -65.780167 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -14.296 flat angles C4'-P-C4' energy: -10.838 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -204.446104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.446104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.446104 (E_RNA) where: Base-Base interactions energy: -143.878 where: short stacking energy: -58.793 Base-Backbone interact. energy: -0.612 local terms energy: -59.955694 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -15.967 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -15.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -198.481510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.481510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.481510 (E_RNA) where: Base-Base interactions energy: -134.696 where: short stacking energy: -56.015 Base-Backbone interact. energy: -0.083 local terms energy: -63.702696 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -14.183 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -12.613 tors. eta vs tors. theta energy: -13.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -74.956462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.956462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.956462 (E_RNA) where: Base-Base interactions energy: -29.565 where: short stacking energy: -29.565 Base-Backbone interact. energy: -0.121 local terms energy: -45.270555 where: bonds (distance) C4'-P energy: -10.180 bonds (distance) P-C4' energy: -12.680 flat angles C4'-P-C4' energy: -10.477 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -7.699 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: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -168.129642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.129642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.129642 (E_RNA) where: Base-Base interactions energy: -111.864 where: short stacking energy: -45.984 Base-Backbone interact. energy: -0.286 local terms energy: -55.979523 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -8.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -78.274098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.274098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.274098 (E_RNA) where: Base-Base interactions energy: -31.670 where: short stacking energy: -21.848 Base-Backbone interact. energy: -0.114 local terms energy: -46.490129 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -223.169561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.169561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.169561 (E_RNA) where: Base-Base interactions energy: -150.036 where: short stacking energy: -65.328 Base-Backbone interact. energy: -0.001 local terms energy: -73.132226 where: bonds (distance) C4'-P energy: -12.295 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -15.175 flat angles P-C4'-P energy: -11.419 tors. eta vs tors. theta energy: -20.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -217.679664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.679664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.679664 (E_RNA) where: Base-Base interactions energy: -143.884 where: short stacking energy: -59.635 Base-Backbone interact. energy: -0.213 local terms energy: -73.582328 where: bonds (distance) C4'-P energy: -14.816 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -18.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -200.015625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.015625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.015625 (E_RNA) where: Base-Base interactions energy: -140.053 where: short stacking energy: -63.881 Base-Backbone interact. energy: -0.014 local terms energy: -59.949259 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -8.722 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: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -208.784876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.784876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.784876 (E_RNA) where: Base-Base interactions energy: -135.833 where: short stacking energy: -57.463 Base-Backbone interact. energy: -0.580 local terms energy: -72.372604 where: bonds (distance) C4'-P energy: -10.786 bonds (distance) P-C4' energy: -16.929 flat angles C4'-P-C4' energy: -16.260 flat angles P-C4'-P energy: -9.158 tors. eta vs tors. theta energy: -19.239 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: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -201.673344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.673344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.673344 (E_RNA) where: Base-Base interactions energy: -138.986 where: short stacking energy: -63.905 Base-Backbone interact. energy: -0.011 local terms energy: -62.676238 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -15.619 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -16.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -206.986415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.986415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.986415 (E_RNA) where: Base-Base interactions energy: -143.174 where: short stacking energy: -60.553 Base-Backbone interact. energy: -0.116 local terms energy: -63.696842 where: bonds (distance) C4'-P energy: -11.623 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -19.060 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: 7, replica: 5 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -202.611659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.611659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.611659 (E_RNA) where: Base-Base interactions energy: -136.990 where: short stacking energy: -63.245 Base-Backbone interact. energy: -0.159 local terms energy: -65.462607 where: bonds (distance) C4'-P energy: -14.243 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -15.777 flat angles P-C4'-P energy: -7.602 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: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -152.201315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.201315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.201315 (E_RNA) where: Base-Base interactions energy: -96.664 where: short stacking energy: -45.120 Base-Backbone interact. energy: -0.182 local terms energy: -55.354772 where: bonds (distance) C4'-P energy: -9.721 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -10.726 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -12.051 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: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -75.479652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.479652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.479652 (E_RNA) where: Base-Base interactions energy: -35.609 where: short stacking energy: -30.797 Base-Backbone interact. energy: -0.195 local terms energy: -39.676397 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -1.215 tors. eta vs tors. theta energy: -4.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -73.275373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.275373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.275373 (E_RNA) where: Base-Base interactions energy: -35.257 where: short stacking energy: -25.792 Base-Backbone interact. energy: -0.056 local terms energy: -37.962110 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -0.596 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: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -219.181394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.181394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.181394 (E_RNA) where: Base-Base interactions energy: -151.924 where: short stacking energy: -63.924 Base-Backbone interact. energy: -0.002 local terms energy: -67.255777 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -19.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -221.155539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.155539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.155539 (E_RNA) where: Base-Base interactions energy: -149.644 where: short stacking energy: -62.435 Base-Backbone interact. energy: -0.259 local terms energy: -71.252893 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -12.332 tors. eta vs tors. theta energy: -18.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -220.487358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.487358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.487358 (E_RNA) where: Base-Base interactions energy: -151.072 where: short stacking energy: -63.516 Base-Backbone interact. energy: 0.176 local terms energy: -69.591354 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -12.902 tors. eta vs tors. theta energy: -16.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -201.118185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.118185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.118185 (E_RNA) where: Base-Base interactions energy: -131.800 where: short stacking energy: -60.216 Base-Backbone interact. energy: -0.066 local terms energy: -69.252393 where: bonds (distance) C4'-P energy: -12.656 bonds (distance) P-C4' energy: -15.033 flat angles C4'-P-C4' energy: -13.383 flat angles P-C4'-P energy: -9.438 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: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -210.661300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.661300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.661300 (E_RNA) where: Base-Base interactions energy: -151.582 where: short stacking energy: -65.508 Base-Backbone interact. energy: -0.109 local terms energy: -58.970336 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -10.938 flat angles P-C4'-P energy: -11.288 tors. eta vs tors. theta energy: -16.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -194.732377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.732377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.732377 (E_RNA) where: Base-Base interactions energy: -137.870 where: short stacking energy: -58.502 Base-Backbone interact. energy: -0.394 local terms energy: -56.468518 where: bonds (distance) C4'-P energy: -9.861 bonds (distance) P-C4' energy: -10.959 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -7.254 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: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -194.551899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.551899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.551899 (E_RNA) where: Base-Base interactions energy: -129.215 where: short stacking energy: -53.037 Base-Backbone interact. energy: -0.076 local terms energy: -65.260800 where: bonds (distance) C4'-P energy: -13.463 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -9.564 flat angles P-C4'-P energy: -11.585 tors. eta vs tors. theta energy: -16.014 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: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -147.960048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.960048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.960048 (E_RNA) where: Base-Base interactions energy: -95.145 where: short stacking energy: -42.754 Base-Backbone interact. energy: -0.688 local terms energy: -52.127725 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -9.744 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -7.469 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: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -75.510057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.510057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.510057 (E_RNA) where: Base-Base interactions energy: -39.734 where: short stacking energy: -28.133 Base-Backbone interact. energy: 0.028 local terms energy: -35.803166 where: bonds (distance) C4'-P energy: -10.284 bonds (distance) P-C4' energy: -6.440 flat angles C4'-P-C4' energy: -10.045 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -0.319 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: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -73.329951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.329951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.329951 (E_RNA) where: Base-Base interactions energy: -26.687 where: short stacking energy: -26.075 Base-Backbone interact. energy: -0.116 local terms energy: -46.526888 where: bonds (distance) C4'-P energy: -7.749 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -15.692 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -221.845494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.845494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.845494 (E_RNA) where: Base-Base interactions energy: -152.917 where: short stacking energy: -59.648 Base-Backbone interact. energy: -0.363 local terms energy: -68.565302 where: bonds (distance) C4'-P energy: -14.940 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -15.967 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -18.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -213.377993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.377993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.377993 (E_RNA) where: Base-Base interactions energy: -143.721 where: short stacking energy: -61.035 Base-Backbone interact. energy: -0.024 local terms energy: -69.632249 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -13.845 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: 3, replica: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -216.146076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.146076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.146076 (E_RNA) where: Base-Base interactions energy: -144.767 where: short stacking energy: -67.283 Base-Backbone interact. energy: -0.001 local terms energy: -71.377555 where: bonds (distance) C4'-P energy: -14.034 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -11.642 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: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -205.039165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.039165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.039165 (E_RNA) where: Base-Base interactions energy: -142.376 where: short stacking energy: -61.240 Base-Backbone interact. energy: -0.577 local terms energy: -62.086820 where: bonds (distance) C4'-P energy: -11.422 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -16.323 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -14.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -197.527598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.527598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.527598 (E_RNA) where: Base-Base interactions energy: -130.813 where: short stacking energy: -64.101 Base-Backbone interact. energy: -0.004 local terms energy: -66.710595 where: bonds (distance) C4'-P energy: -10.389 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -8.109 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: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -203.179248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.179248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.179248 (E_RNA) where: Base-Base interactions energy: -140.364 where: short stacking energy: -61.019 Base-Backbone interact. energy: -0.211 local terms energy: -62.604323 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -14.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -199.631332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.631332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.631332 (E_RNA) where: Base-Base interactions energy: -140.941 where: short stacking energy: -59.418 Base-Backbone interact. energy: -0.042 local terms energy: -58.648016 where: bonds (distance) C4'-P energy: -12.388 bonds (distance) P-C4' energy: -12.911 flat angles C4'-P-C4' energy: -9.746 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -13.726 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: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -143.866433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.866433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.866433 (E_RNA) where: Base-Base interactions energy: -92.878 where: short stacking energy: -34.052 Base-Backbone interact. energy: -0.372 local terms energy: -50.616434 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -6.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -74.149353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.149353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.149353 (E_RNA) where: Base-Base interactions energy: -27.239 where: short stacking energy: -27.239 Base-Backbone interact. energy: -0.007 local terms energy: -46.902699 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -9.715 flat angles C4'-P-C4' energy: -10.584 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -7.918 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: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -72.821508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.821508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.821508 (E_RNA) where: Base-Base interactions energy: -31.501 where: short stacking energy: -24.883 Base-Backbone interact. energy: -0.193 local terms energy: -41.128152 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -11.789 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -5.828 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: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -217.590134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.590134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.590134 (E_RNA) where: Base-Base interactions energy: -154.741 where: short stacking energy: -61.814 Base-Backbone interact. energy: -0.314 local terms energy: -62.535130 where: bonds (distance) C4'-P energy: -11.045 bonds (distance) P-C4' energy: -16.573 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -8.457 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: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -223.884333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.884333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.884333 (E_RNA) where: Base-Base interactions energy: -148.860 where: short stacking energy: -66.639 Base-Backbone interact. energy: -0.007 local terms energy: -75.018102 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -12.907 tors. eta vs tors. theta energy: -21.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -210.446946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.446946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.446946 (E_RNA) where: Base-Base interactions energy: -138.921 where: short stacking energy: -51.213 Base-Backbone interact. energy: -1.119 local terms energy: -70.407112 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -14.846 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -15.958 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: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -216.819497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.819497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.819497 (E_RNA) where: Base-Base interactions energy: -145.991 where: short stacking energy: -65.822 Base-Backbone interact. energy: -0.194 local terms energy: -70.634136 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -12.614 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: -21.049 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: 5, replica: 5 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -209.998578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.998578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.998578 (E_RNA) where: Base-Base interactions energy: -143.429 where: short stacking energy: -59.842 Base-Backbone interact. energy: -0.720 local terms energy: -65.849716 where: bonds (distance) C4'-P energy: -10.930 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -11.604 tors. eta vs tors. theta energy: -16.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -193.061067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.061067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.061067 (E_RNA) where: Base-Base interactions energy: -124.675 where: short stacking energy: -60.047 Base-Backbone interact. energy: -0.227 local terms energy: -68.158480 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -18.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -195.187704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.187704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.187704 (E_RNA) where: Base-Base interactions energy: -131.450 where: short stacking energy: -57.830 Base-Backbone interact. energy: -0.003 local terms energy: -63.734179 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -9.002 flat angles C4'-P-C4' energy: -15.428 flat angles P-C4'-P energy: -7.941 tors. eta vs tors. theta energy: -16.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -146.061341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.061341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.061341 (E_RNA) where: Base-Base interactions energy: -95.760 where: short stacking energy: -46.825 Base-Backbone interact. energy: -0.266 local terms energy: -50.034632 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -12.351 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -6.200 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: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -73.811874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.811874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.811874 (E_RNA) where: Base-Base interactions energy: -29.426 where: short stacking energy: -22.167 Base-Backbone interact. energy: -0.487 local terms energy: -43.898597 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -11.468 tors. eta vs tors. theta energy: 0.220 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: 6 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -99.189121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.189121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.189121 (E_RNA) where: Base-Base interactions energy: -54.444 where: short stacking energy: -25.430 Base-Backbone interact. energy: -0.097 local terms energy: -44.647692 where: bonds (distance) C4'-P energy: -15.405 bonds (distance) P-C4' energy: -11.550 flat angles C4'-P-C4' energy: -8.961 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -225.395257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.395257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.395257 (E_RNA) where: Base-Base interactions energy: -150.545 where: short stacking energy: -68.716 Base-Backbone interact. energy: -0.534 local terms energy: -74.315648 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -15.177 flat angles P-C4'-P energy: -11.367 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: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -225.749619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.749619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.749619 (E_RNA) where: Base-Base interactions energy: -151.290 where: short stacking energy: -67.971 Base-Backbone interact. energy: -0.013 local terms energy: -74.446443 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.131 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -19.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -216.090728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.090728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.090728 (E_RNA) where: Base-Base interactions energy: -144.638 where: short stacking energy: -64.721 Base-Backbone interact. energy: -0.073 local terms energy: -71.380172 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -9.194 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: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -211.492549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.492549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.492549 (E_RNA) where: Base-Base interactions energy: -144.134 where: short stacking energy: -61.561 Base-Backbone interact. energy: -2.092 local terms energy: -65.266949 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -17.051 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: 131 Temperature: 1.100000 Total energy: -210.328334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.328334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.328334 (E_RNA) where: Base-Base interactions energy: -140.973 where: short stacking energy: -67.184 Base-Backbone interact. energy: -0.013 local terms energy: -69.342895 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -16.090 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -21.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -207.704558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.704558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.704558 (E_RNA) where: Base-Base interactions energy: -141.240 where: short stacking energy: -62.398 Base-Backbone interact. energy: -0.634 local terms energy: -65.830630 where: bonds (distance) C4'-P energy: -13.899 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -16.234 flat angles P-C4'-P energy: -4.753 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: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -195.896674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.896674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.896674 (E_RNA) where: Base-Base interactions energy: -132.409 where: short stacking energy: -55.417 Base-Backbone interact. energy: -0.054 local terms energy: -63.433310 where: bonds (distance) C4'-P energy: -15.181 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -10.005 flat angles P-C4'-P energy: -8.687 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: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -131.444843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.444843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.444843 (E_RNA) where: Base-Base interactions energy: -81.594 where: short stacking energy: -40.186 Base-Backbone interact. energy: -0.080 local terms energy: -49.771494 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -12.347 flat angles C4'-P-C4' energy: -11.561 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -6.696 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: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -108.048478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.048478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.048478 (E_RNA) where: Base-Base interactions energy: -61.441 where: short stacking energy: -32.347 Base-Backbone interact. energy: -0.544 local terms energy: -46.064098 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -10.120 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -110.456338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.456338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.456338 (E_RNA) where: Base-Base interactions energy: -64.724 where: short stacking energy: -35.632 Base-Backbone interact. energy: -0.175 local terms energy: -45.558196 where: bonds (distance) C4'-P energy: -7.884 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -10.345 flat angles P-C4'-P energy: -6.257 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: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -216.878516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.878516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.878516 (E_RNA) where: Base-Base interactions energy: -148.645 where: short stacking energy: -66.782 Base-Backbone interact. energy: -0.004 local terms energy: -68.229568 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -15.572 flat angles P-C4'-P energy: -10.702 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: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -216.464206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.464206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.464206 (E_RNA) where: Base-Base interactions energy: -146.070 where: short stacking energy: -64.913 Base-Backbone interact. energy: -0.023 local terms energy: -70.370763 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -10.112 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: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -209.710296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.710296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.710296 (E_RNA) where: Base-Base interactions energy: -139.157 where: short stacking energy: -56.005 Base-Backbone interact. energy: -0.055 local terms energy: -70.498811 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -16.062 flat angles P-C4'-P energy: -10.518 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: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -207.748600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.748600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.748600 (E_RNA) where: Base-Base interactions energy: -144.158 where: short stacking energy: -59.627 Base-Backbone interact. energy: -0.101 local terms energy: -63.489586 where: bonds (distance) C4'-P energy: -10.238 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -8.425 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: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -204.074095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.074095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.074095 (E_RNA) where: Base-Base interactions energy: -140.237 where: short stacking energy: -56.611 Base-Backbone interact. energy: -0.865 local terms energy: -62.971558 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -7.975 tors. eta vs tors. theta energy: -15.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -195.389993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.389993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.389993 (E_RNA) where: Base-Base interactions energy: -129.505 where: short stacking energy: -53.107 Base-Backbone interact. energy: -0.031 local terms energy: -65.853329 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -12.359 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -10.291 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: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -176.220661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.220661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.220661 (E_RNA) where: Base-Base interactions energy: -112.032 where: short stacking energy: -51.437 Base-Backbone interact. energy: -0.197 local terms energy: -63.991825 where: bonds (distance) C4'-P energy: -14.664 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -9.167 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: 8, replica: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -86.734029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.734029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.734029 (E_RNA) where: Base-Base interactions energy: -48.918 where: short stacking energy: -30.009 Base-Backbone interact. energy: 3.724 local terms energy: -41.540243 where: bonds (distance) C4'-P energy: -6.652 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -78.756537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.756537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.756537 (E_RNA) where: Base-Base interactions energy: -34.110 where: short stacking energy: -20.267 Base-Backbone interact. energy: -0.219 local terms energy: -44.428228 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -12.745 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: 4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -74.034746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.034746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.034746 (E_RNA) where: Base-Base interactions energy: -28.051 where: short stacking energy: -26.293 Base-Backbone interact. energy: -0.371 local terms energy: -45.612809 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -11.674 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: 2.534 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: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -224.375756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.375756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.375756 (E_RNA) where: Base-Base interactions energy: -154.598 where: short stacking energy: -68.083 Base-Backbone interact. energy: 0.505 local terms energy: -70.282632 where: bonds (distance) C4'-P energy: -15.214 bonds (distance) P-C4' energy: -7.984 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -12.491 tors. eta vs tors. theta energy: -20.289 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: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -216.267178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.267178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.267178 (E_RNA) where: Base-Base interactions energy: -143.413 where: short stacking energy: -63.953 Base-Backbone interact. energy: -0.612 local terms energy: -72.242261 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -12.215 tors. eta vs tors. theta energy: -18.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -216.719365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.719365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.719365 (E_RNA) where: Base-Base interactions energy: -150.496 where: short stacking energy: -64.369 Base-Backbone interact. energy: -0.130 local terms energy: -66.092787 where: bonds (distance) C4'-P energy: -15.919 bonds (distance) P-C4' energy: -10.887 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -15.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -208.458100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.458100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.458100 (E_RNA) where: Base-Base interactions energy: -132.874 where: short stacking energy: -52.431 Base-Backbone interact. energy: -0.001 local terms energy: -75.583216 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -16.333 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -10.982 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: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -204.739653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.739653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.739653 (E_RNA) where: Base-Base interactions energy: -143.784 where: short stacking energy: -60.098 Base-Backbone interact. energy: 2.000 local terms energy: -62.955891 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -13.366 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -202.059741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.059741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.059741 (E_RNA) where: Base-Base interactions energy: -138.038 where: short stacking energy: -58.034 Base-Backbone interact. energy: -0.785 local terms energy: -63.236877 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: -15.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -182.297854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.297854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.297854 (E_RNA) where: Base-Base interactions energy: -130.573 where: short stacking energy: -56.405 Base-Backbone interact. energy: 1.344 local terms energy: -53.068644 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -9.651 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: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -82.814876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.814876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.814876 (E_RNA) where: Base-Base interactions energy: -35.413 where: short stacking energy: -35.413 Base-Backbone interact. energy: -0.017 local terms energy: -47.384699 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -9.937 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -80.852581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.852581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.852581 (E_RNA) where: Base-Base interactions energy: -34.787 where: short stacking energy: -31.518 Base-Backbone interact. energy: -0.141 local terms energy: -45.924624 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -12.310 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -69.573783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.573783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.573783 (E_RNA) where: Base-Base interactions energy: -25.406 where: short stacking energy: -25.406 Base-Backbone interact. energy: -0.202 local terms energy: -43.965441 where: bonds (distance) C4'-P energy: -7.233 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -222.538686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.538686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.538686 (E_RNA) where: Base-Base interactions energy: -150.603 where: short stacking energy: -66.763 Base-Backbone interact. energy: 0.246 local terms energy: -72.181242 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -12.936 tors. eta vs tors. theta energy: -20.688 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: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -217.941139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.941139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.941139 (E_RNA) where: Base-Base interactions energy: -152.211 where: short stacking energy: -67.517 Base-Backbone interact. energy: -0.425 local terms energy: -65.305388 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -14.828 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -8.553 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: 3, replica: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -213.653562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.653562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.653562 (E_RNA) where: Base-Base interactions energy: -141.306 where: short stacking energy: -65.083 Base-Backbone interact. energy: -0.009 local terms energy: -72.338361 where: bonds (distance) C4'-P energy: -16.229 bonds (distance) P-C4' energy: -13.267 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: -20.180 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: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -211.509145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.509145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.509145 (E_RNA) where: Base-Base interactions energy: -145.242 where: short stacking energy: -62.998 Base-Backbone interact. energy: -0.002 local terms energy: -66.265180 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -14.588 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -19.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -202.236109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.236109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.236109 (E_RNA) where: Base-Base interactions energy: -146.582 where: short stacking energy: -57.650 Base-Backbone interact. energy: -0.057 local terms energy: -55.596712 where: bonds (distance) C4'-P energy: -9.616 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -10.413 flat angles P-C4'-P energy: -8.899 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: 6, replica: 10 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -200.558767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.558767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.558767 (E_RNA) where: Base-Base interactions energy: -138.536 where: short stacking energy: -57.277 Base-Backbone interact. energy: -0.294 local terms energy: -61.728202 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -10.350 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -15.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -177.411340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.411340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.411340 (E_RNA) where: Base-Base interactions energy: -113.296 where: short stacking energy: -48.489 Base-Backbone interact. energy: -0.219 local terms energy: -63.896086 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -16.237 flat angles P-C4'-P energy: -3.355 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: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -73.685372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.685372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.685372 (E_RNA) where: Base-Base interactions energy: -34.802 where: short stacking energy: -28.266 Base-Backbone interact. energy: -0.316 local terms energy: -38.567097 where: bonds (distance) C4'-P energy: -7.471 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -88.111297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.111297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.111297 (E_RNA) where: Base-Base interactions energy: -32.472 where: short stacking energy: -32.472 Base-Backbone interact. energy: -0.086 local terms energy: -55.553643 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -7.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -75.979472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.979472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.979472 (E_RNA) where: Base-Base interactions energy: -27.223 where: short stacking energy: -25.503 Base-Backbone interact. energy: -0.137 local terms energy: -48.619636 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -9.483 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -4.406 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: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -223.736157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.736157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.736157 (E_RNA) where: Base-Base interactions energy: -153.835 where: short stacking energy: -66.922 Base-Backbone interact. energy: -0.004 local terms energy: -69.897817 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -14.331 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -18.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -220.196666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.196666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.196666 (E_RNA) where: Base-Base interactions energy: -148.841 where: short stacking energy: -63.176 Base-Backbone interact. energy: -0.122 local terms energy: -71.233821 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -15.638 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -10.502 tors. eta vs tors. theta energy: -17.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -218.077128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.077128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.077128 (E_RNA) where: Base-Base interactions energy: -146.054 where: short stacking energy: -68.713 Base-Backbone interact. energy: -0.076 local terms energy: -71.947397 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -12.731 tors. eta vs tors. theta energy: -18.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -215.430409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.430409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.430409 (E_RNA) where: Base-Base interactions energy: -145.131 where: short stacking energy: -63.267 Base-Backbone interact. energy: 0.694 local terms energy: -70.993009 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -12.438 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: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -201.565774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.565774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.565774 (E_RNA) where: Base-Base interactions energy: -137.029 where: short stacking energy: -61.581 Base-Backbone interact. energy: -0.638 local terms energy: -63.899284 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -12.435 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -189.459349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.459349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.459349 (E_RNA) where: Base-Base interactions energy: -124.540 where: short stacking energy: -55.207 Base-Backbone interact. energy: -0.081 local terms energy: -64.838885 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -15.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -189.204070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.204070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.204070 (E_RNA) where: Base-Base interactions energy: -117.621 where: short stacking energy: -49.162 Base-Backbone interact. energy: -0.452 local terms energy: -71.131660 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -10.635 tors. eta vs tors. theta energy: -16.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -79.601224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.601224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.601224 (E_RNA) where: Base-Base interactions energy: -34.187 where: short stacking energy: -31.894 Base-Backbone interact. energy: 4.026 local terms energy: -49.439757 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -7.829 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -89.576409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.576409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.576409 (E_RNA) where: Base-Base interactions energy: -44.927 where: short stacking energy: -30.800 Base-Backbone interact. energy: -0.282 local terms energy: -44.367216 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -83.643625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.643625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.643625 (E_RNA) where: Base-Base interactions energy: -42.564 where: short stacking energy: -38.842 Base-Backbone interact. energy: 0.169 local terms energy: -41.248488 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -1.005 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -223.567723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.567723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.567723 (E_RNA) where: Base-Base interactions energy: -151.685 where: short stacking energy: -64.295 Base-Backbone interact. energy: -0.061 local terms energy: -71.821007 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -16.061 flat angles P-C4'-P energy: -8.403 tors. eta vs tors. theta energy: -19.842 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: 3 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -218.743861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.743861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.743861 (E_RNA) where: Base-Base interactions energy: -144.625 where: short stacking energy: -65.394 Base-Backbone interact. energy: -0.537 local terms energy: -73.582042 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -15.085 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -18.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -210.502275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.502275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.502275 (E_RNA) where: Base-Base interactions energy: -139.425 where: short stacking energy: -62.072 Base-Backbone interact. energy: -0.174 local terms energy: -70.902807 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -10.041 tors. eta vs tors. theta energy: -19.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -211.204639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.204639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.204639 (E_RNA) where: Base-Base interactions energy: -145.815 where: short stacking energy: -65.742 Base-Backbone interact. energy: -0.000 local terms energy: -65.389675 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -11.085 tors. eta vs tors. theta energy: -16.202 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: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -220.907753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.907753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.907753 (E_RNA) where: Base-Base interactions energy: -148.391 where: short stacking energy: -68.278 Base-Backbone interact. energy: -0.002 local terms energy: -72.514457 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -12.339 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: 6, replica: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -181.624376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.624376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.624376 (E_RNA) where: Base-Base interactions energy: -115.235 where: short stacking energy: -47.992 Base-Backbone interact. energy: -0.113 local terms energy: -66.276744 where: bonds (distance) C4'-P energy: -14.867 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -14.245 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: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -195.631253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.631253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.631253 (E_RNA) where: Base-Base interactions energy: -136.598 where: short stacking energy: -51.834 Base-Backbone interact. energy: -0.162 local terms energy: -58.870966 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -10.552 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -11.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -86.628255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.628255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.628255 (E_RNA) where: Base-Base interactions energy: -33.584 where: short stacking energy: -31.223 Base-Backbone interact. energy: 1.213 local terms energy: -54.257309 where: bonds (distance) C4'-P energy: -15.095 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -6.561 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -86.151384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.151384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.151384 (E_RNA) where: Base-Base interactions energy: -36.274 where: short stacking energy: -36.274 Base-Backbone interact. energy: -0.145 local terms energy: -49.732610 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: -10.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -72.283378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.283378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.283378 (E_RNA) where: Base-Base interactions energy: -30.791 where: short stacking energy: -27.670 Base-Backbone interact. energy: -0.204 local terms energy: -41.288529 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -7.440 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -8.109 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: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -221.980155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.980155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.980155 (E_RNA) where: Base-Base interactions energy: -148.163 where: short stacking energy: -67.843 Base-Backbone interact. energy: -0.004 local terms energy: -73.813348 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -21.254 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: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -222.931793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.931793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.931793 (E_RNA) where: Base-Base interactions energy: -149.867 where: short stacking energy: -64.523 Base-Backbone interact. energy: -0.087 local terms energy: -72.978299 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -12.186 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: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -211.458874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.458874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.458874 (E_RNA) where: Base-Base interactions energy: -143.659 where: short stacking energy: -60.404 Base-Backbone interact. energy: -0.665 local terms energy: -67.134218 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -11.617 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -10.475 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: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -210.654145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.654145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.654145 (E_RNA) where: Base-Base interactions energy: -142.351 where: short stacking energy: -63.701 Base-Backbone interact. energy: -0.416 local terms energy: -67.887291 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -16.480 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -18.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -204.096698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.096698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.096698 (E_RNA) where: Base-Base interactions energy: -140.806 where: short stacking energy: -59.221 Base-Backbone interact. energy: -0.074 local terms energy: -63.217277 where: bonds (distance) C4'-P energy: -15.525 bonds (distance) P-C4' energy: -11.968 flat angles C4'-P-C4' energy: -9.213 flat angles P-C4'-P energy: -7.942 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: 6, replica: 10 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -199.535835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.535835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.535835 (E_RNA) where: Base-Base interactions energy: -142.508 where: short stacking energy: -58.882 Base-Backbone interact. energy: -0.823 local terms energy: -56.204575 where: bonds (distance) C4'-P energy: -10.561 bonds (distance) P-C4' energy: -10.073 flat angles C4'-P-C4' energy: -15.080 flat angles P-C4'-P energy: -6.664 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: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -188.604248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.604248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.604248 (E_RNA) where: Base-Base interactions energy: -125.338 where: short stacking energy: -48.906 Base-Backbone interact. energy: -0.565 local terms energy: -62.701186 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -10.794 flat angles C4'-P-C4' energy: -15.274 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -12.698 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: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -85.447543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.447543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.447543 (E_RNA) where: Base-Base interactions energy: -37.457 where: short stacking energy: -25.010 Base-Backbone interact. energy: -0.114 local terms energy: -47.875978 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -11.727 flat angles C4'-P-C4' energy: -11.233 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -4.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -77.485402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.485402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.485402 (E_RNA) where: Base-Base interactions energy: -32.442 where: short stacking energy: -29.836 Base-Backbone interact. energy: -0.675 local terms energy: -44.368488 where: bonds (distance) C4'-P energy: -12.466 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -67.203308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.203308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.203308 (E_RNA) where: Base-Base interactions energy: -23.582 where: short stacking energy: -23.582 Base-Backbone interact. energy: -0.090 local terms energy: -43.530419 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -10.261 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: 5.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -217.499537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.499537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.499537 (E_RNA) where: Base-Base interactions energy: -145.035 where: short stacking energy: -64.587 Base-Backbone interact. energy: -0.000 local terms energy: -72.464483 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -12.268 tors. eta vs tors. theta energy: -18.102 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: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -217.967950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.967950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.967950 (E_RNA) where: Base-Base interactions energy: -150.277 where: short stacking energy: -68.726 Base-Backbone interact. energy: -0.052 local terms energy: -67.639135 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -15.142 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -17.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -216.317404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.317404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.317404 (E_RNA) where: Base-Base interactions energy: -143.181 where: short stacking energy: -61.979 Base-Backbone interact. energy: -1.095 local terms energy: -72.041103 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -11.105 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: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -202.141852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.141852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.141852 (E_RNA) where: Base-Base interactions energy: -144.653 where: short stacking energy: -62.576 Base-Backbone interact. energy: -0.157 local terms energy: -57.331973 where: bonds (distance) C4'-P energy: -8.991 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -6.520 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: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -206.882548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.882548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.882548 (E_RNA) where: Base-Base interactions energy: -137.852 where: short stacking energy: -63.151 Base-Backbone interact. energy: -0.019 local terms energy: -69.011441 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -8.645 tors. eta vs tors. theta energy: -20.414 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: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -204.510640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.510640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.510640 (E_RNA) where: Base-Base interactions energy: -137.075 where: short stacking energy: -54.983 Base-Backbone interact. energy: -0.589 local terms energy: -66.846550 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -8.107 tors. eta vs tors. theta energy: -19.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -190.979874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.979874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.979874 (E_RNA) where: Base-Base interactions energy: -128.543 where: short stacking energy: -60.055 Base-Backbone interact. energy: -0.002 local terms energy: -62.434808 where: bonds (distance) C4'-P energy: -14.437 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -12.320 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -16.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -122.161712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.161712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.161712 (E_RNA) where: Base-Base interactions energy: -80.348 where: short stacking energy: -51.114 Base-Backbone interact. energy: -0.463 local terms energy: -41.350152 where: bonds (distance) C4'-P energy: -9.672 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -9.789 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -77.447506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.447506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.447506 (E_RNA) where: Base-Base interactions energy: -30.545 where: short stacking energy: -28.938 Base-Backbone interact. energy: -0.070 local terms energy: -46.832272 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -79.915649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.915649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.915649 (E_RNA) where: Base-Base interactions energy: -41.269 where: short stacking energy: -22.880 Base-Backbone interact. energy: -0.133 local terms energy: -38.513082 where: bonds (distance) C4'-P energy: -8.920 bonds (distance) P-C4' energy: -12.291 flat angles C4'-P-C4' energy: -11.399 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -216.009667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.009667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.009667 (E_RNA) where: Base-Base interactions energy: -144.247 where: short stacking energy: -62.836 Base-Backbone interact. energy: -0.009 local terms energy: -71.753104 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -18.056 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: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -220.481110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.481110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.481110 (E_RNA) where: Base-Base interactions energy: -145.912 where: short stacking energy: -67.188 Base-Backbone interact. energy: -0.014 local terms energy: -74.555472 where: bonds (distance) C4'-P energy: -15.596 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -9.934 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: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -213.472976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.472976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.472976 (E_RNA) where: Base-Base interactions energy: -142.769 where: short stacking energy: -64.255 Base-Backbone interact. energy: -0.278 local terms energy: -70.426053 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -10.925 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -11.276 tors. eta vs tors. theta energy: -17.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -213.182341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.182341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.182341 (E_RNA) where: Base-Base interactions energy: -149.452 where: short stacking energy: -68.209 Base-Backbone interact. energy: -0.102 local terms energy: -63.628951 where: bonds (distance) C4'-P energy: -10.619 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -12.272 flat angles P-C4'-P energy: -5.878 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: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -204.199898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.199898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.199898 (E_RNA) where: Base-Base interactions energy: -144.534 where: short stacking energy: -63.952 Base-Backbone interact. energy: -0.055 local terms energy: -59.611095 where: bonds (distance) C4'-P energy: -9.977 bonds (distance) P-C4' energy: -10.983 flat angles C4'-P-C4' energy: -13.545 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -14.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -191.875890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.875890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.875890 (E_RNA) where: Base-Base interactions energy: -123.526 where: short stacking energy: -59.040 Base-Backbone interact. energy: -0.001 local terms energy: -68.348587 where: bonds (distance) C4'-P energy: -14.138 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -12.850 tors. eta vs tors. theta energy: -18.127 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: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -190.901153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.901153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.901153 (E_RNA) where: Base-Base interactions energy: -137.094 where: short stacking energy: -58.411 Base-Backbone interact. energy: -0.187 local terms energy: -53.620457 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -0.361 tors. eta vs tors. theta energy: -14.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -141.884510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.884510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.884510 (E_RNA) where: Base-Base interactions energy: -87.723 where: short stacking energy: -40.935 Base-Backbone interact. energy: -0.203 local terms energy: -53.957970 where: bonds (distance) C4'-P energy: -11.410 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -8.951 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: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -108.983889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.983889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.983889 (E_RNA) where: Base-Base interactions energy: -61.323 where: short stacking energy: -32.632 Base-Backbone interact. energy: -0.089 local terms energy: -47.572072 where: bonds (distance) C4'-P energy: -8.024 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -11.903 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -77.541984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.541984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.541984 (E_RNA) where: Base-Base interactions energy: -26.972 where: short stacking energy: -22.373 Base-Backbone interact. energy: -0.187 local terms energy: -50.383214 where: bonds (distance) C4'-P energy: -14.756 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -3.456 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: 140 Temperature: 0.900000 Total energy: -222.203284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.203284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.203284 (E_RNA) where: Base-Base interactions energy: -144.584 where: short stacking energy: -66.415 Base-Backbone interact. energy: -0.009 local terms energy: -77.609938 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -11.836 tors. eta vs tors. theta energy: -20.475 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: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -221.577214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.577214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.577214 (E_RNA) where: Base-Base interactions energy: -154.836 where: short stacking energy: -68.544 Base-Backbone interact. energy: -0.003 local terms energy: -66.738322 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -18.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -209.551258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.551258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.551258 (E_RNA) where: Base-Base interactions energy: -142.376 where: short stacking energy: -62.708 Base-Backbone interact. energy: -0.025 local terms energy: -67.150561 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -18.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -210.513513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.513513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.513513 (E_RNA) where: Base-Base interactions energy: -142.692 where: short stacking energy: -56.215 Base-Backbone interact. energy: -0.033 local terms energy: -67.788528 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -12.748 flat angles C4'-P-C4' energy: -14.199 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -17.048 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: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -194.072221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.072221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.072221 (E_RNA) where: Base-Base interactions energy: -128.501 where: short stacking energy: -57.019 Base-Backbone interact. energy: -0.100 local terms energy: -65.471182 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -14.744 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: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -200.375161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.375161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.375161 (E_RNA) where: Base-Base interactions energy: -136.435 where: short stacking energy: -55.852 Base-Backbone interact. energy: -0.557 local terms energy: -63.382803 where: bonds (distance) C4'-P energy: -9.692 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -10.715 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -17.441 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: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -189.777233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.777233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.777233 (E_RNA) where: Base-Base interactions energy: -125.792 where: short stacking energy: -51.153 Base-Backbone interact. energy: -0.097 local terms energy: -63.888110 where: bonds (distance) C4'-P energy: -9.770 bonds (distance) P-C4' energy: -12.543 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -11.207 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: 8, replica: 6 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -156.931218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.931218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.931218 (E_RNA) where: Base-Base interactions energy: -103.463 where: short stacking energy: -47.139 Base-Backbone interact. energy: -0.065 local terms energy: -53.402886 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -10.143 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -11.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -81.643859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.643859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.643859 (E_RNA) where: Base-Base interactions energy: -42.592 where: short stacking energy: -18.087 Base-Backbone interact. energy: -0.290 local terms energy: -38.761907 where: bonds (distance) C4'-P energy: -9.377 bonds (distance) P-C4' energy: -9.458 flat angles C4'-P-C4' energy: -12.876 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -2.821 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: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -72.966107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.966107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.966107 (E_RNA) where: Base-Base interactions energy: -32.933 where: short stacking energy: -25.544 Base-Backbone interact. energy: -0.080 local terms energy: -39.952768 where: bonds (distance) C4'-P energy: -6.779 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -219.642663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.642663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.642663 (E_RNA) where: Base-Base interactions energy: -146.311 where: short stacking energy: -65.361 Base-Backbone interact. energy: -0.085 local terms energy: -73.246640 where: bonds (distance) C4'-P energy: -14.213 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: -19.994 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: 141 Temperature: 0.950000 Total energy: -218.254479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.254479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.254479 (E_RNA) where: Base-Base interactions energy: -149.936 where: short stacking energy: -62.904 Base-Backbone interact. energy: -0.589 local terms energy: -67.729509 where: bonds (distance) C4'-P energy: -10.612 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -14.762 flat angles P-C4'-P energy: -8.601 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: 3, replica: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -214.552520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.552520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.552520 (E_RNA) where: Base-Base interactions energy: -140.427 where: short stacking energy: -62.999 Base-Backbone interact. energy: -0.066 local terms energy: -74.059561 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -16.652 flat angles P-C4'-P energy: -8.250 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: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -203.696798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.696798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.696798 (E_RNA) where: Base-Base interactions energy: -143.708 where: short stacking energy: -55.846 Base-Backbone interact. energy: 0.448 local terms energy: -60.436903 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -10.992 flat angles C4'-P-C4' energy: -12.516 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -13.213 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: 1 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -197.116699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.116699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.116699 (E_RNA) where: Base-Base interactions energy: -130.635 where: short stacking energy: -58.182 Base-Backbone interact. energy: -0.453 local terms energy: -66.028604 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -9.789 flat angles C4'-P-C4' energy: -13.218 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -19.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -198.843754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.843754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.843754 (E_RNA) where: Base-Base interactions energy: -138.987 where: short stacking energy: -60.123 Base-Backbone interact. energy: -0.314 local terms energy: -59.543023 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -8.072 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: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -206.339272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.339272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.339272 (E_RNA) where: Base-Base interactions energy: -137.884 where: short stacking energy: -63.925 Base-Backbone interact. energy: -0.035 local terms energy: -68.420385 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -10.896 flat angles C4'-P-C4' energy: -16.161 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -17.245 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: 141 Temperature: 1.250000 Total energy: -82.405314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.405314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.405314 (E_RNA) where: Base-Base interactions energy: -25.651 where: short stacking energy: -25.651 Base-Backbone interact. energy: -0.291 local terms energy: -56.463584 where: bonds (distance) C4'-P energy: -15.286 bonds (distance) P-C4' energy: -14.490 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -162.202608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.202608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.202608 (E_RNA) where: Base-Base interactions energy: -103.685 where: short stacking energy: -48.132 Base-Backbone interact. energy: -0.139 local terms energy: -58.378993 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -9.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -69.268135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.268135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.268135 (E_RNA) where: Base-Base interactions energy: -19.632 where: short stacking energy: -16.738 Base-Backbone interact. energy: -0.340 local terms energy: -49.296393 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -10.473 tors. eta vs tors. theta energy: 2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -225.344311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.344311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.344311 (E_RNA) where: Base-Base interactions energy: -148.836 where: short stacking energy: -62.095 Base-Backbone interact. energy: -0.214 local terms energy: -76.294750 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -14.101 tors. eta vs tors. theta energy: -18.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -218.619938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.619938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.619938 (E_RNA) where: Base-Base interactions energy: -151.412 where: short stacking energy: -71.115 Base-Backbone interact. energy: -0.322 local terms energy: -66.886666 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -19.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -209.027401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.027401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.027401 (E_RNA) where: Base-Base interactions energy: -143.920 where: short stacking energy: -58.608 Base-Backbone interact. energy: -0.687 local terms energy: -64.420790 where: bonds (distance) C4'-P energy: -11.306 bonds (distance) P-C4' energy: -11.512 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -12.211 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: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -208.597118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.597118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.597118 (E_RNA) where: Base-Base interactions energy: -140.282 where: short stacking energy: -62.352 Base-Backbone interact. energy: -0.001 local terms energy: -68.313468 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -11.391 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -11.288 tors. eta vs tors. theta energy: -19.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -211.620812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.620812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.620812 (E_RNA) where: Base-Base interactions energy: -146.276 where: short stacking energy: -67.011 Base-Backbone interact. energy: -0.289 local terms energy: -65.055738 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -13.972 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -12.794 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: 6, replica: 1 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -194.052963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.052963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.052963 (E_RNA) where: Base-Base interactions energy: -124.859 where: short stacking energy: -58.885 Base-Backbone interact. energy: -0.196 local terms energy: -68.997831 where: bonds (distance) C4'-P energy: -16.097 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -18.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -83.295090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.295090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.295090 (E_RNA) where: Base-Base interactions energy: -40.057 where: short stacking energy: -40.057 Base-Backbone interact. energy: -0.232 local terms energy: -43.005440 where: bonds (distance) C4'-P energy: -10.197 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -6.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -201.401146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.401146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.401146 (E_RNA) where: Base-Base interactions energy: -138.749 where: short stacking energy: -58.762 Base-Backbone interact. energy: -0.043 local terms energy: -62.609022 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -11.563 flat angles P-C4'-P energy: -6.329 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: 9, replica: 6 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -162.459571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.459571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.459571 (E_RNA) where: Base-Base interactions energy: -106.318 where: short stacking energy: -41.945 Base-Backbone interact. energy: -1.240 local terms energy: -54.901132 where: bonds (distance) C4'-P energy: -12.338 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -10.463 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -14.377 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: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -71.495621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.495621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.495621 (E_RNA) where: Base-Base interactions energy: -30.520 where: short stacking energy: -27.098 Base-Backbone interact. energy: -0.081 local terms energy: -40.894647 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -220.066786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.066786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.066786 (E_RNA) where: Base-Base interactions energy: -144.893 where: short stacking energy: -62.399 Base-Backbone interact. energy: -0.120 local terms energy: -75.054567 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -14.960 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -12.442 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: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -218.985572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.985572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.985572 (E_RNA) where: Base-Base interactions energy: -140.305 where: short stacking energy: -59.909 Base-Backbone interact. energy: -0.355 local terms energy: -78.325517 where: bonds (distance) C4'-P energy: -16.043 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -12.831 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: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -213.353242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.353242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.353242 (E_RNA) where: Base-Base interactions energy: -151.400 where: short stacking energy: -62.857 Base-Backbone interact. energy: -0.055 local terms energy: -61.897966 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -11.167 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -11.625 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: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -210.926851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.926851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.926851 (E_RNA) where: Base-Base interactions energy: -141.495 where: short stacking energy: -59.676 Base-Backbone interact. energy: -0.106 local terms energy: -69.326046 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -16.029 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -16.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -209.164801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.164801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.164801 (E_RNA) where: Base-Base interactions energy: -150.296 where: short stacking energy: -56.566 Base-Backbone interact. energy: -0.303 local terms energy: -58.566208 where: bonds (distance) C4'-P energy: -9.217 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -8.339 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: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -198.159233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.159233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.159233 (E_RNA) where: Base-Base interactions energy: -134.333 where: short stacking energy: -64.687 Base-Backbone interact. energy: -0.863 local terms energy: -62.962844 where: bonds (distance) C4'-P energy: -9.225 bonds (distance) P-C4' energy: -12.424 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -8.418 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: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -94.141206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.141206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.141206 (E_RNA) where: Base-Base interactions energy: -41.473 where: short stacking energy: -41.473 Base-Backbone interact. energy: 1.622 local terms energy: -54.290977 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -192.922953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.922953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.922953 (E_RNA) where: Base-Base interactions energy: -135.327 where: short stacking energy: -54.993 Base-Backbone interact. energy: -0.095 local terms energy: -57.500411 where: bonds (distance) C4'-P energy: -7.522 bonds (distance) P-C4' energy: -10.176 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -17.633 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: 6 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -154.424127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.424127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.424127 (E_RNA) where: Base-Base interactions energy: -105.369 where: short stacking energy: -44.533 Base-Backbone interact. energy: 2.298 local terms energy: -51.352831 where: bonds (distance) C4'-P energy: -8.189 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -9.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -68.157978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.157978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.157978 (E_RNA) where: Base-Base interactions energy: -22.589 where: short stacking energy: -7.837 Base-Backbone interact. energy: -0.519 local terms energy: -45.049762 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -16.664 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: 2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -216.858917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.858917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.858917 (E_RNA) where: Base-Base interactions energy: -146.531 where: short stacking energy: -60.789 Base-Backbone interact. energy: -1.272 local terms energy: -69.055681 where: bonds (distance) C4'-P energy: -12.102 bonds (distance) P-C4' energy: -15.181 flat angles C4'-P-C4' energy: -15.874 flat angles P-C4'-P energy: -9.579 tors. eta vs tors. theta energy: -16.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -216.453143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.453143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.453143 (E_RNA) where: Base-Base interactions energy: -142.797 where: short stacking energy: -60.272 Base-Backbone interact. energy: -0.077 local terms energy: -73.578339 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -11.328 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: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -202.423266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.423266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.423266 (E_RNA) where: Base-Base interactions energy: -135.538 where: short stacking energy: -51.432 Base-Backbone interact. energy: -0.697 local terms energy: -66.188470 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -12.181 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -10.511 tors. eta vs tors. theta energy: -18.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -212.892008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.892008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.892008 (E_RNA) where: Base-Base interactions energy: -143.318 where: short stacking energy: -60.856 Base-Backbone interact. energy: -0.006 local terms energy: -69.568650 where: bonds (distance) C4'-P energy: -13.655 bonds (distance) P-C4' energy: -11.885 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -11.545 tors. eta vs tors. theta energy: -18.486 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: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -198.833269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.833269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.833269 (E_RNA) where: Base-Base interactions energy: -134.537 where: short stacking energy: -53.200 Base-Backbone interact. energy: -0.098 local terms energy: -64.198301 where: bonds (distance) C4'-P energy: -14.152 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -15.391 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: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -182.291681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.291681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.291681 (E_RNA) where: Base-Base interactions energy: -122.628 where: short stacking energy: -51.212 Base-Backbone interact. energy: -0.043 local terms energy: -59.620677 where: bonds (distance) C4'-P energy: -9.828 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -8.455 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: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -202.802811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.802811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.802811 (E_RNA) where: Base-Base interactions energy: -135.180 where: short stacking energy: -56.626 Base-Backbone interact. energy: -0.015 local terms energy: -67.608556 where: bonds (distance) C4'-P energy: -14.054 bonds (distance) P-C4' energy: -13.782 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -17.147 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: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -88.395105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.395105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.395105 (E_RNA) where: Base-Base interactions energy: -34.875 where: short stacking energy: -30.360 Base-Backbone interact. energy: -1.059 local terms energy: -52.460811 where: bonds (distance) C4'-P energy: -7.188 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -15.242 flat angles P-C4'-P energy: -11.637 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: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -169.179298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.179298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.179298 (E_RNA) where: Base-Base interactions energy: -115.266 where: short stacking energy: -41.413 Base-Backbone interact. energy: -0.414 local terms energy: -53.499377 where: bonds (distance) C4'-P energy: -11.506 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -10.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -72.126524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.126524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.126524 (E_RNA) where: Base-Base interactions energy: -27.471 where: short stacking energy: -27.471 Base-Backbone interact. energy: -0.149 local terms energy: -44.506713 where: bonds (distance) C4'-P energy: -10.652 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -3.970 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: 145 Temperature: 0.900000 Total energy: -220.215973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.215973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.215973 (E_RNA) where: Base-Base interactions energy: -153.870 where: short stacking energy: -69.560 Base-Backbone interact. energy: -0.061 local terms energy: -66.284028 where: bonds (distance) C4'-P energy: -13.907 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -18.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -213.005995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.005995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.005995 (E_RNA) where: Base-Base interactions energy: -142.237 where: short stacking energy: -62.444 Base-Backbone interact. energy: -0.306 local terms energy: -70.462229 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -19.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -209.781238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.781238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.781238 (E_RNA) where: Base-Base interactions energy: -142.899 where: short stacking energy: -55.287 Base-Backbone interact. energy: -0.640 local terms energy: -66.241468 where: bonds (distance) C4'-P energy: -8.531 bonds (distance) P-C4' energy: -12.977 flat angles C4'-P-C4' energy: -16.787 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -211.100800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.100800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.100800 (E_RNA) where: Base-Base interactions energy: -144.821 where: short stacking energy: -66.349 Base-Backbone interact. energy: -0.247 local terms energy: -66.032453 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -12.127 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -11.673 tors. eta vs tors. theta energy: -17.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -208.848088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.848088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.848088 (E_RNA) where: Base-Base interactions energy: -147.080 where: short stacking energy: -64.399 Base-Backbone interact. energy: -0.396 local terms energy: -61.372174 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -9.426 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: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -201.753276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.753276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.753276 (E_RNA) where: Base-Base interactions energy: -133.064 where: short stacking energy: -57.658 Base-Backbone interact. energy: 0.059 local terms energy: -68.749005 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -9.648 flat angles P-C4'-P energy: -11.390 tors. eta vs tors. theta energy: -19.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -179.171599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.171599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.171599 (E_RNA) where: Base-Base interactions energy: -118.730 where: short stacking energy: -52.774 Base-Backbone interact. energy: -0.026 local terms energy: -60.415226 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: -12.149 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: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -185.192286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.192286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.192286 (E_RNA) where: Base-Base interactions energy: -126.593 where: short stacking energy: -44.067 Base-Backbone interact. energy: -0.193 local terms energy: -58.406130 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -11.949 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -11.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -82.104572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.104572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.104572 (E_RNA) where: Base-Base interactions energy: -41.938 where: short stacking energy: -28.389 Base-Backbone interact. energy: -0.126 local terms energy: -40.039993 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -9.476 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: 0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -75.537436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.537436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.537436 (E_RNA) where: Base-Base interactions energy: -23.418 where: short stacking energy: -21.003 Base-Backbone interact. energy: -0.165 local terms energy: -51.955252 where: bonds (distance) C4'-P energy: -10.483 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -4.456 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: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -220.432361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.432361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.432361 (E_RNA) where: Base-Base interactions energy: -145.311 where: short stacking energy: -62.499 Base-Backbone interact. energy: -0.214 local terms energy: -74.907169 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -15.823 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -20.262 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: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -212.494309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.494309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.494309 (E_RNA) where: Base-Base interactions energy: -144.064 where: short stacking energy: -59.369 Base-Backbone interact. energy: -0.002 local terms energy: -68.427609 where: bonds (distance) C4'-P energy: -12.280 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -11.883 tors. eta vs tors. theta energy: -16.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -216.448901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.448901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.448901 (E_RNA) where: Base-Base interactions energy: -146.945 where: short stacking energy: -63.531 Base-Backbone interact. energy: -0.892 local terms energy: -68.611835 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -11.049 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -10.672 tors. eta vs tors. theta energy: -18.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -206.305938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.305938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.305938 (E_RNA) where: Base-Base interactions energy: -145.795 where: short stacking energy: -63.758 Base-Backbone interact. energy: -0.053 local terms energy: -60.457726 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -9.601 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -13.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -191.746403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.746403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.746403 (E_RNA) where: Base-Base interactions energy: -132.796 where: short stacking energy: -55.963 Base-Backbone interact. energy: 0.176 local terms energy: -59.126649 where: bonds (distance) C4'-P energy: -11.734 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -8.033 tors. eta vs tors. theta energy: -12.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -198.372987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.372987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.372987 (E_RNA) where: Base-Base interactions energy: -136.534 where: short stacking energy: -60.883 Base-Backbone interact. energy: -0.021 local terms energy: -61.817987 where: bonds (distance) C4'-P energy: -10.094 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -15.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -195.659632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.659632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.659632 (E_RNA) where: Base-Base interactions energy: -128.406 where: short stacking energy: -56.102 Base-Backbone interact. energy: -0.326 local terms energy: -66.927520 where: bonds (distance) C4'-P energy: -14.780 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -10.454 tors. eta vs tors. theta energy: -15.447 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: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -196.360214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.360214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.360214 (E_RNA) where: Base-Base interactions energy: -135.089 where: short stacking energy: -51.898 Base-Backbone interact. energy: -0.205 local terms energy: -61.065824 where: bonds (distance) C4'-P energy: -9.184 bonds (distance) P-C4' energy: -14.637 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -10.706 tors. eta vs tors. theta energy: -13.963 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: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -76.246699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.246699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.246699 (E_RNA) where: Base-Base interactions energy: -25.526 where: short stacking energy: -25.526 Base-Backbone interact. energy: -0.183 local terms energy: -50.537817 where: bonds (distance) C4'-P energy: -13.691 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -78.257116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.257116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.257116 (E_RNA) where: Base-Base interactions energy: -29.157 where: short stacking energy: -27.930 Base-Backbone interact. energy: 0.249 local terms energy: -49.349360 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -10.432 flat angles C4'-P-C4' energy: -14.779 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -222.172583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.172583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.172583 (E_RNA) where: Base-Base interactions energy: -151.803 where: short stacking energy: -67.905 Base-Backbone interact. energy: -0.293 local terms energy: -70.076357 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -7.993 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: 3 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -229.264538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.264538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.264538 (E_RNA) where: Base-Base interactions energy: -152.786 where: short stacking energy: -68.333 Base-Backbone interact. energy: -0.281 local terms energy: -76.197660 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -17.172 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -20.138 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: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -216.233272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.233272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.233272 (E_RNA) where: Base-Base interactions energy: -143.986 where: short stacking energy: -61.999 Base-Backbone interact. energy: -0.413 local terms energy: -71.834030 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -13.662 flat angles P-C4'-P energy: -12.115 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: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -202.589360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.589360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.589360 (E_RNA) where: Base-Base interactions energy: -138.220 where: short stacking energy: -53.827 Base-Backbone interact. energy: -0.129 local terms energy: -64.240584 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -13.594 flat angles C4'-P-C4' energy: -11.910 flat angles P-C4'-P energy: -10.635 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: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -206.223623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.223623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.223623 (E_RNA) where: Base-Base interactions energy: -140.408 where: short stacking energy: -58.290 Base-Backbone interact. energy: -0.075 local terms energy: -65.740631 where: bonds (distance) C4'-P energy: -12.322 bonds (distance) P-C4' energy: -15.993 flat angles C4'-P-C4' energy: -15.202 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -19.078 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: 147 Temperature: 1.150000 Total energy: -197.175628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.175628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.175628 (E_RNA) where: Base-Base interactions energy: -129.031 where: short stacking energy: -59.351 Base-Backbone interact. energy: -0.086 local terms energy: -68.059478 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -11.096 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: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -207.146231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.146231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.146231 (E_RNA) where: Base-Base interactions energy: -137.861 where: short stacking energy: -58.107 Base-Backbone interact. energy: -0.214 local terms energy: -69.070447 where: bonds (distance) C4'-P energy: -15.579 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -17.997 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: 8, replica: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -196.577342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.577342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.577342 (E_RNA) where: Base-Base interactions energy: -140.160 where: short stacking energy: -57.090 Base-Backbone interact. energy: -0.575 local terms energy: -55.842438 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -13.749 flat angles C4'-P-C4' energy: -10.331 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -15.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -163.284187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.284187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.284187 (E_RNA) where: Base-Base interactions energy: -106.891 where: short stacking energy: -48.552 Base-Backbone interact. energy: -0.029 local terms energy: -56.364069 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -11.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -79.898940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.898940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.898940 (E_RNA) where: Base-Base interactions energy: -29.366 where: short stacking energy: -28.259 Base-Backbone interact. energy: -0.054 local terms energy: -50.478964 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -10.655 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -222.763323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.763323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.763323 (E_RNA) where: Base-Base interactions energy: -152.481 where: short stacking energy: -69.799 Base-Backbone interact. energy: -0.003 local terms energy: -70.279542 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -11.314 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -19.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -224.463521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.463521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.463521 (E_RNA) where: Base-Base interactions energy: -149.071 where: short stacking energy: -63.873 Base-Backbone interact. energy: -0.000 local terms energy: -75.392111 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -15.899 flat angles P-C4'-P energy: -11.914 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: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -216.992690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.992690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.992690 (E_RNA) where: Base-Base interactions energy: -148.632 where: short stacking energy: -60.857 Base-Backbone interact. energy: -0.271 local terms energy: -68.089814 where: bonds (distance) C4'-P energy: -11.380 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -214.154508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.154508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.154508 (E_RNA) where: Base-Base interactions energy: -146.713 where: short stacking energy: -66.619 Base-Backbone interact. energy: -0.173 local terms energy: -67.268516 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -9.854 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: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -205.247181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.247181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.247181 (E_RNA) where: Base-Base interactions energy: -137.707 where: short stacking energy: -56.300 Base-Backbone interact. energy: -0.038 local terms energy: -67.502002 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -11.804 tors. eta vs tors. theta energy: -15.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -179.203163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.203163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.203163 (E_RNA) where: Base-Base interactions energy: -117.388 where: short stacking energy: -49.963 Base-Backbone interact. energy: -0.232 local terms energy: -61.583241 where: bonds (distance) C4'-P energy: -9.941 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -14.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -195.278478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.278478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.278478 (E_RNA) where: Base-Base interactions energy: -131.852 where: short stacking energy: -55.706 Base-Backbone interact. energy: -0.284 local terms energy: -63.141721 where: bonds (distance) C4'-P energy: -10.540 bonds (distance) P-C4' energy: -11.386 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -12.532 tors. eta vs tors. theta energy: -14.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -177.486165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.486165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.486165 (E_RNA) where: Base-Base interactions energy: -125.745 where: short stacking energy: -49.281 Base-Backbone interact. energy: -0.153 local terms energy: -51.588304 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -10.772 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: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -177.780030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.780030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.780030 (E_RNA) where: Base-Base interactions energy: -118.091 where: short stacking energy: -52.624 Base-Backbone interact. energy: -0.012 local terms energy: -59.677034 where: bonds (distance) C4'-P energy: -9.932 bonds (distance) P-C4' energy: -16.239 flat angles C4'-P-C4' energy: -10.713 flat angles P-C4'-P energy: -7.314 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: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -78.764251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.764251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.764251 (E_RNA) where: Base-Base interactions energy: -31.979 where: short stacking energy: -31.387 Base-Backbone interact. energy: 0.471 local terms energy: -47.256355 where: bonds (distance) C4'-P energy: -9.203 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -9.181 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: 1, replica: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -219.690508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.690508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.690508 (E_RNA) where: Base-Base interactions energy: -152.529 where: short stacking energy: -67.481 Base-Backbone interact. energy: -0.050 local terms energy: -67.111772 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -12.223 flat angles C4'-P-C4' energy: -15.573 flat angles P-C4'-P energy: -8.445 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: 2, replica: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -222.684832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.684832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.684832 (E_RNA) where: Base-Base interactions energy: -151.074 where: short stacking energy: -67.369 Base-Backbone interact. energy: -0.672 local terms energy: -70.938259 where: bonds (distance) C4'-P energy: -14.237 bonds (distance) P-C4' energy: -11.810 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: -20.398 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: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -216.160232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.160232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.160232 (E_RNA) where: Base-Base interactions energy: -146.459 where: short stacking energy: -64.371 Base-Backbone interact. energy: -0.044 local terms energy: -69.656685 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -10.084 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: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -206.561945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.561945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.561945 (E_RNA) where: Base-Base interactions energy: -141.688 where: short stacking energy: -59.006 Base-Backbone interact. energy: -0.137 local terms energy: -64.736469 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -7.173 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: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -204.311016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.311016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.311016 (E_RNA) where: Base-Base interactions energy: -141.722 where: short stacking energy: -59.863 Base-Backbone interact. energy: -0.002 local terms energy: -62.587387 where: bonds (distance) C4'-P energy: -7.962 bonds (distance) P-C4' energy: -14.490 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -9.681 tors. eta vs tors. theta energy: -16.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -200.687349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.687349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.687349 (E_RNA) where: Base-Base interactions energy: -138.013 where: short stacking energy: -60.012 Base-Backbone interact. energy: -0.020 local terms energy: -62.654347 where: bonds (distance) C4'-P energy: -15.195 bonds (distance) P-C4' energy: -7.422 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -8.135 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: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -194.197725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.197725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.197725 (E_RNA) where: Base-Base interactions energy: -124.670 where: short stacking energy: -55.634 Base-Backbone interact. energy: -0.040 local terms energy: -69.487817 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -10.587 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: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -186.177065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.177065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.177065 (E_RNA) where: Base-Base interactions energy: -124.448 where: short stacking energy: -52.644 Base-Backbone interact. energy: -1.217 local terms energy: -60.511941 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -15.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -152.584160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.584160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.584160 (E_RNA) where: Base-Base interactions energy: -94.086 where: short stacking energy: -38.564 Base-Backbone interact. energy: 0.246 local terms energy: -58.744280 where: bonds (distance) C4'-P energy: -15.136 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -8.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -94.178667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.178667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.178667 (E_RNA) where: Base-Base interactions energy: -44.281 where: short stacking energy: -44.281 Base-Backbone interact. energy: -0.026 local terms energy: -49.872326 where: bonds (distance) C4'-P energy: -14.081 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -9.663 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: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -220.794563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.794563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.794563 (E_RNA) where: Base-Base interactions energy: -150.993 where: short stacking energy: -67.261 Base-Backbone interact. energy: -0.447 local terms energy: -69.354167 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -16.003 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -18.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -218.448685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.448685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.448685 (E_RNA) where: Base-Base interactions energy: -152.272 where: short stacking energy: -67.848 Base-Backbone interact. energy: -0.399 local terms energy: -65.777882 where: bonds (distance) C4'-P energy: -14.723 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -14.798 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -17.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -214.042690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.042690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.042690 (E_RNA) where: Base-Base interactions energy: -145.394 where: short stacking energy: -68.770 Base-Backbone interact. energy: -0.010 local terms energy: -68.638125 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -14.827 flat angles P-C4'-P energy: -11.530 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: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -202.687046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.687046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.687046 (E_RNA) where: Base-Base interactions energy: -148.303 where: short stacking energy: -63.012 Base-Backbone interact. energy: -0.049 local terms energy: -54.335523 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -3.183 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: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -214.742083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.742083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.742083 (E_RNA) where: Base-Base interactions energy: -147.833 where: short stacking energy: -61.689 Base-Backbone interact. energy: -0.491 local terms energy: -66.418582 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -15.126 flat angles P-C4'-P energy: -8.485 tors. eta vs tors. theta energy: -15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -199.375650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.375650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.375650 (E_RNA) where: Base-Base interactions energy: -141.751 where: short stacking energy: -63.804 Base-Backbone interact. energy: -0.127 local terms energy: -57.497095 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -15.013 flat angles P-C4'-P energy: -8.230 tors. eta vs tors. theta energy: -18.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -192.311660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.311660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.311660 (E_RNA) where: Base-Base interactions energy: -126.180 where: short stacking energy: -56.946 Base-Backbone interact. energy: -0.099 local terms energy: -66.031831 where: bonds (distance) C4'-P energy: -7.891 bonds (distance) P-C4' energy: -15.224 flat angles C4'-P-C4' energy: -16.309 flat angles P-C4'-P energy: -10.305 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: 8, replica: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -176.111964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.111964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.111964 (E_RNA) where: Base-Base interactions energy: -123.955 where: short stacking energy: -54.877 Base-Backbone interact. energy: -0.043 local terms energy: -52.113692 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -16.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -190.457231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.457231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.457231 (E_RNA) where: Base-Base interactions energy: -135.925 where: short stacking energy: -55.549 Base-Backbone interact. energy: 0.180 local terms energy: -54.713036 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -11.812 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -4.799 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: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -68.958239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.958239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.958239 (E_RNA) where: Base-Base interactions energy: -27.198 where: short stacking energy: -16.853 Base-Backbone interact. energy: -0.321 local terms energy: -41.439056 where: bonds (distance) C4'-P energy: -7.866 bonds (distance) P-C4' energy: -11.111 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -8.566 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -217.652219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.652219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.652219 (E_RNA) where: Base-Base interactions energy: -150.459 where: short stacking energy: -62.618 Base-Backbone interact. energy: -0.202 local terms energy: -66.991458 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -13.041 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -10.576 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: 2, replica: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -222.209675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.209675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.209675 (E_RNA) where: Base-Base interactions energy: -150.583 where: short stacking energy: -69.078 Base-Backbone interact. energy: -0.357 local terms energy: -71.268823 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -10.726 tors. eta vs tors. theta energy: -19.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -215.626015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.626015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.626015 (E_RNA) where: Base-Base interactions energy: -150.109 where: short stacking energy: -68.597 Base-Backbone interact. energy: -0.680 local terms energy: -64.837435 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -7.027 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: 4, replica: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -215.488961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.488961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.488961 (E_RNA) where: Base-Base interactions energy: -148.681 where: short stacking energy: -67.613 Base-Backbone interact. energy: -0.067 local terms energy: -66.741356 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -15.458 flat angles P-C4'-P energy: -11.043 tors. eta vs tors. theta energy: -19.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -194.543990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.543990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.543990 (E_RNA) where: Base-Base interactions energy: -138.379 where: short stacking energy: -51.831 Base-Backbone interact. energy: -0.517 local terms energy: -55.647974 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -7.669 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: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -181.422863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.422863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.422863 (E_RNA) where: Base-Base interactions energy: -113.355 where: short stacking energy: -61.640 Base-Backbone interact. energy: -0.064 local terms energy: -68.004470 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -19.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -186.246045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.246045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.246045 (E_RNA) where: Base-Base interactions energy: -127.790 where: short stacking energy: -55.382 Base-Backbone interact. energy: -0.899 local terms energy: -57.557079 where: bonds (distance) C4'-P energy: -6.143 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -9.573 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: 8, replica: 6 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -191.030057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.030057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.030057 (E_RNA) where: Base-Base interactions energy: -131.164 where: short stacking energy: -47.935 Base-Backbone interact. energy: -0.042 local terms energy: -59.824281 where: bonds (distance) C4'-P energy: -12.237 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -12.320 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: 9, replica: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -181.610862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.610862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.610862 (E_RNA) where: Base-Base interactions energy: -118.295 where: short stacking energy: -48.534 Base-Backbone interact. energy: -0.036 local terms energy: -63.279626 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -16.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -97.510596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.510596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.510596 (E_RNA) where: Base-Base interactions energy: -50.244 where: short stacking energy: -25.262 Base-Backbone interact. energy: -0.060 local terms energy: -47.206260 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -11.548 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -215.924484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.924484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.924484 (E_RNA) where: Base-Base interactions energy: -149.673 where: short stacking energy: -58.000 Base-Backbone interact. energy: -0.144 local terms energy: -66.107131 where: bonds (distance) C4'-P energy: -15.972 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -13.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -215.837144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.837144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.837144 (E_RNA) where: Base-Base interactions energy: -150.531 where: short stacking energy: -61.359 Base-Backbone interact. energy: 0.181 local terms energy: -65.486878 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -10.249 tors. eta vs tors. theta energy: -15.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -218.694697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.694697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.694697 (E_RNA) where: Base-Base interactions energy: -149.938 where: short stacking energy: -67.852 Base-Backbone interact. energy: -0.004 local terms energy: -68.752775 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -10.453 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: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -208.230063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.230063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.230063 (E_RNA) where: Base-Base interactions energy: -138.660 where: short stacking energy: -62.445 Base-Backbone interact. energy: -0.172 local terms energy: -69.397416 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -17.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -168.574394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.574394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.574394 (E_RNA) where: Base-Base interactions energy: -111.775 where: short stacking energy: -53.645 Base-Backbone interact. energy: -0.005 local terms energy: -56.794761 where: bonds (distance) C4'-P energy: -9.373 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -10.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -191.347218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.347218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.347218 (E_RNA) where: Base-Base interactions energy: -141.317 where: short stacking energy: -56.569 Base-Backbone interact. energy: -0.357 local terms energy: -49.673233 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -9.989 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -9.230 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: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -202.268459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.268459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.268459 (E_RNA) where: Base-Base interactions energy: -140.430 where: short stacking energy: -59.870 Base-Backbone interact. energy: -0.590 local terms energy: -61.249029 where: bonds (distance) C4'-P energy: -8.839 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -17.786 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: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -204.895296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.895296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.895296 (E_RNA) where: Base-Base interactions energy: -139.704 where: short stacking energy: -52.068 Base-Backbone interact. energy: -0.009 local terms energy: -65.182235 where: bonds (distance) C4'-P energy: -10.072 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -9.340 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: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -182.060139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.060139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.060139 (E_RNA) where: Base-Base interactions energy: -127.814 where: short stacking energy: -59.311 Base-Backbone interact. energy: -0.082 local terms energy: -54.164442 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -12.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -76.831408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.831408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.831408 (E_RNA) where: Base-Base interactions energy: -38.360 where: short stacking energy: -32.796 Base-Backbone interact. energy: -0.139 local terms energy: -38.332509 where: bonds (distance) C4'-P energy: -8.761 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -10.927 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: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -228.398819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.398819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.398819 (E_RNA) where: Base-Base interactions energy: -158.132 where: short stacking energy: -74.032 Base-Backbone interact. energy: -0.254 local terms energy: -70.012981 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -8.669 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: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -214.762834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.762834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.762834 (E_RNA) where: Base-Base interactions energy: -150.901 where: short stacking energy: -67.044 Base-Backbone interact. energy: -0.013 local terms energy: -63.849052 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -10.076 flat angles C4'-P-C4' energy: -11.571 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -20.095 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: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -215.601140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.601140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.601140 (E_RNA) where: Base-Base interactions energy: -149.169 where: short stacking energy: -71.005 Base-Backbone interact. energy: -0.059 local terms energy: -66.372801 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -10.036 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: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -208.259609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.259609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.259609 (E_RNA) where: Base-Base interactions energy: -143.934 where: short stacking energy: -65.693 Base-Backbone interact. energy: -0.017 local terms energy: -64.308546 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -9.810 flat angles C4'-P-C4' energy: -15.846 flat angles P-C4'-P energy: -8.380 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: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -153.107030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.107030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.107030 (E_RNA) where: Base-Base interactions energy: -93.923 where: short stacking energy: -50.739 Base-Backbone interact. energy: -0.331 local terms energy: -58.853424 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -10.822 flat angles P-C4'-P energy: -10.798 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: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -204.097289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.097289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.097289 (E_RNA) where: Base-Base interactions energy: -140.480 where: short stacking energy: -61.248 Base-Backbone interact. energy: -0.152 local terms energy: -63.465753 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -17.537 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: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -197.056508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.056508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.056508 (E_RNA) where: Base-Base interactions energy: -139.532 where: short stacking energy: -50.359 Base-Backbone interact. energy: -0.241 local terms energy: -57.283000 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -9.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -201.816198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.816198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.816198 (E_RNA) where: Base-Base interactions energy: -139.701 where: short stacking energy: -62.714 Base-Backbone interact. energy: -0.078 local terms energy: -62.036776 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -10.365 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -6.174 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: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -182.923614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.923614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.923614 (E_RNA) where: Base-Base interactions energy: -126.140 where: short stacking energy: -52.996 Base-Backbone interact. energy: -0.051 local terms energy: -56.732447 where: bonds (distance) C4'-P energy: -9.668 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -9.514 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -17.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -81.890449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.890449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.890449 (E_RNA) where: Base-Base interactions energy: -31.182 where: short stacking energy: -26.539 Base-Backbone interact. energy: -0.101 local terms energy: -50.607726 where: bonds (distance) C4'-P energy: -11.410 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -13.266 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -4.765 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: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -225.542897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.542897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.542897 (E_RNA) where: Base-Base interactions energy: -152.981 where: short stacking energy: -72.077 Base-Backbone interact. energy: -0.019 local terms energy: -72.543347 where: bonds (distance) C4'-P energy: -12.715 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -15.697 flat angles P-C4'-P energy: -9.681 tors. eta vs tors. theta energy: -19.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -218.697996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.697996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.697996 (E_RNA) where: Base-Base interactions energy: -146.991 where: short stacking energy: -65.741 Base-Backbone interact. energy: -0.000 local terms energy: -71.706515 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -13.105 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -10.379 tors. eta vs tors. theta energy: -20.114 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: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -214.031170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.031170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.031170 (E_RNA) where: Base-Base interactions energy: -143.779 where: short stacking energy: -65.332 Base-Backbone interact. energy: -0.022 local terms energy: -70.230347 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -11.594 tors. eta vs tors. theta energy: -20.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -201.655935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.655935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.655935 (E_RNA) where: Base-Base interactions energy: -133.987 where: short stacking energy: -55.321 Base-Backbone interact. energy: -0.409 local terms energy: -67.259573 where: bonds (distance) C4'-P energy: -10.822 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -197.594127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.594127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.594127 (E_RNA) where: Base-Base interactions energy: -133.437 where: short stacking energy: -51.014 Base-Backbone interact. energy: -0.137 local terms energy: -64.020119 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -11.522 tors. eta vs tors. theta energy: -12.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -181.782145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.782145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.782145 (E_RNA) where: Base-Base interactions energy: -117.207 where: short stacking energy: -59.805 Base-Backbone interact. energy: 0.024 local terms energy: -64.598862 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -10.798 flat angles C4'-P-C4' energy: -11.731 flat angles P-C4'-P energy: -9.687 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: 7, replica: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -200.191965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.191965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.191965 (E_RNA) where: Base-Base interactions energy: -133.730 where: short stacking energy: -53.336 Base-Backbone interact. energy: -0.042 local terms energy: -66.419381 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -16.077 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -13.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -165.986394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.986394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.986394 (E_RNA) where: Base-Base interactions energy: -101.618 where: short stacking energy: -46.542 Base-Backbone interact. energy: -0.479 local terms energy: -63.889534 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -10.495 tors. eta vs tors. theta energy: -14.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -188.350029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.350029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.350029 (E_RNA) where: Base-Base interactions energy: -129.134 where: short stacking energy: -61.627 Base-Backbone interact. energy: -0.621 local terms energy: -58.595339 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -10.655 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -16.823 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: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -73.545088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.545088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.545088 (E_RNA) where: Base-Base interactions energy: -36.744 where: short stacking energy: -18.036 Base-Backbone interact. energy: -0.303 local terms energy: -36.498275 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -10.436 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: 2.021 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: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -226.230292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.230292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.230292 (E_RNA) where: Base-Base interactions energy: -153.173 where: short stacking energy: -69.486 Base-Backbone interact. energy: -0.590 local terms energy: -72.467518 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -15.638 flat angles C4'-P-C4' energy: -13.066 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -20.447 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: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -212.931061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.931061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.931061 (E_RNA) where: Base-Base interactions energy: -142.370 where: short stacking energy: -61.603 Base-Backbone interact. energy: 0.272 local terms energy: -70.833908 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -11.796 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: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -212.527924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.527924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.527924 (E_RNA) where: Base-Base interactions energy: -148.527 where: short stacking energy: -66.977 Base-Backbone interact. energy: -0.009 local terms energy: -63.991868 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -14.434 flat angles C4'-P-C4' energy: -11.057 flat angles P-C4'-P energy: -7.943 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: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -210.154473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.154473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.154473 (E_RNA) where: Base-Base interactions energy: -142.328 where: short stacking energy: -63.955 Base-Backbone interact. energy: -1.572 local terms energy: -66.254003 where: bonds (distance) C4'-P energy: -11.300 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -16.185 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -16.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -203.556802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.556802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.556802 (E_RNA) where: Base-Base interactions energy: -138.016 where: short stacking energy: -60.947 Base-Backbone interact. energy: -0.148 local terms energy: -65.392133 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -16.210 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -15.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -203.641155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.641155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.641155 (E_RNA) where: Base-Base interactions energy: -135.832 where: short stacking energy: -53.388 Base-Backbone interact. energy: -0.098 local terms energy: -67.710685 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -15.727 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -14.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -183.516097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.516097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.516097 (E_RNA) where: Base-Base interactions energy: -118.938 where: short stacking energy: -52.157 Base-Backbone interact. energy: -0.006 local terms energy: -64.571347 where: bonds (distance) C4'-P energy: -9.110 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -10.561 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: 8 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -131.228367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.228367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.228367 (E_RNA) where: Base-Base interactions energy: -88.402 where: short stacking energy: -41.646 Base-Backbone interact. energy: -0.437 local terms energy: -42.389643 where: bonds (distance) C4'-P energy: -7.983 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -9.832 flat angles P-C4'-P energy: -9.662 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -167.361519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.361519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.361519 (E_RNA) where: Base-Base interactions energy: -114.723 where: short stacking energy: -46.218 Base-Backbone interact. energy: -0.088 local terms energy: -52.550464 where: bonds (distance) C4'-P energy: -10.482 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -9.285 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -70.566242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.566242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.566242 (E_RNA) where: Base-Base interactions energy: -27.075 where: short stacking energy: -22.563 Base-Backbone interact. energy: -0.651 local terms energy: -42.840480 where: bonds (distance) C4'-P energy: -10.128 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -7.885 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: 1, replica: 4 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -219.797581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.797581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.797581 (E_RNA) where: Base-Base interactions energy: -145.351 where: short stacking energy: -66.021 Base-Backbone interact. energy: -0.788 local terms energy: -73.658477 where: bonds (distance) C4'-P energy: -15.918 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -13.109 tors. eta vs tors. theta energy: -15.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -214.712257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.712257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.712257 (E_RNA) where: Base-Base interactions energy: -144.219 where: short stacking energy: -54.221 Base-Backbone interact. energy: -0.269 local terms energy: -70.223869 where: bonds (distance) C4'-P energy: -15.413 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -12.985 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: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -219.028813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.028813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.028813 (E_RNA) where: Base-Base interactions energy: -144.329 where: short stacking energy: -67.731 Base-Backbone interact. energy: -0.009 local terms energy: -74.691397 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -16.813 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -20.736 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: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -209.152132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.152132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.152132 (E_RNA) where: Base-Base interactions energy: -144.568 where: short stacking energy: -64.855 Base-Backbone interact. energy: -0.049 local terms energy: -64.534228 where: bonds (distance) C4'-P energy: -9.693 bonds (distance) P-C4' energy: -11.592 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -10.543 tors. eta vs tors. theta energy: -20.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -204.026521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.026521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.026521 (E_RNA) where: Base-Base interactions energy: -138.999 where: short stacking energy: -60.610 Base-Backbone interact. energy: -0.031 local terms energy: -64.996802 where: bonds (distance) C4'-P energy: -9.275 bonds (distance) P-C4' energy: -15.645 flat angles C4'-P-C4' energy: -15.007 flat angles P-C4'-P energy: -9.926 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: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -203.780735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.780735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.780735 (E_RNA) where: Base-Base interactions energy: -137.052 where: short stacking energy: -59.770 Base-Backbone interact. energy: -0.840 local terms energy: -65.889158 where: bonds (distance) C4'-P energy: -14.672 bonds (distance) P-C4' energy: -9.465 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -19.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -192.420643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.420643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.420643 (E_RNA) where: Base-Base interactions energy: -124.887 where: short stacking energy: -60.447 Base-Backbone interact. energy: -0.026 local terms energy: -67.507398 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -14.827 flat angles P-C4'-P energy: -10.810 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: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -120.552675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.552675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.552675 (E_RNA) where: Base-Base interactions energy: -64.868 where: short stacking energy: -29.410 Base-Backbone interact. energy: -0.053 local terms energy: -55.631350 where: bonds (distance) C4'-P energy: -14.643 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -8.347 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: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -165.276571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.276571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.276571 (E_RNA) where: Base-Base interactions energy: -102.106 where: short stacking energy: -47.822 Base-Backbone interact. energy: -0.016 local terms energy: -63.154559 where: bonds (distance) C4'-P energy: -12.351 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -12.311 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: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -78.757974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.757974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.757974 (E_RNA) where: Base-Base interactions energy: -33.680 where: short stacking energy: -27.203 Base-Backbone interact. energy: -0.227 local terms energy: -44.850321 where: bonds (distance) C4'-P energy: -9.252 bonds (distance) P-C4' energy: -11.970 flat angles C4'-P-C4' energy: -14.761 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -0.522 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: 4 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -223.176576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.176576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.176576 (E_RNA) where: Base-Base interactions energy: -154.324 where: short stacking energy: -69.145 Base-Backbone interact. energy: -0.211 local terms energy: -68.641146 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -16.257 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -17.875 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: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -221.102853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.102853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.102853 (E_RNA) where: Base-Base interactions energy: -149.793 where: short stacking energy: -65.242 Base-Backbone interact. energy: -0.044 local terms energy: -71.265160 where: bonds (distance) C4'-P energy: -15.935 bonds (distance) P-C4' energy: -14.838 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -10.460 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: 3, replica: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -208.667226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.667226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.667226 (E_RNA) where: Base-Base interactions energy: -141.315 where: short stacking energy: -58.204 Base-Backbone interact. energy: -0.013 local terms energy: -67.339246 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -14.459 flat angles C4'-P-C4' energy: -9.806 flat angles P-C4'-P energy: -11.944 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: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -210.479016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.479016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.479016 (E_RNA) where: Base-Base interactions energy: -142.691 where: short stacking energy: -59.803 Base-Backbone interact. energy: -0.004 local terms energy: -67.783986 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -9.305 tors. eta vs tors. theta energy: -18.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -203.266410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.266410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.266410 (E_RNA) where: Base-Base interactions energy: -132.538 where: short stacking energy: -58.665 Base-Backbone interact. energy: -0.030 local terms energy: -70.698410 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -11.590 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: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -203.181280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.181280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.181280 (E_RNA) where: Base-Base interactions energy: -136.077 where: short stacking energy: -66.545 Base-Backbone interact. energy: 0.255 local terms energy: -67.359855 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -15.460 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -17.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -192.569677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.569677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.569677 (E_RNA) where: Base-Base interactions energy: -138.332 where: short stacking energy: -57.847 Base-Backbone interact. energy: -0.208 local terms energy: -54.030279 where: bonds (distance) C4'-P energy: -6.332 bonds (distance) P-C4' energy: -12.359 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -14.427 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: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -168.409733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.409733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.409733 (E_RNA) where: Base-Base interactions energy: -110.001 where: short stacking energy: -52.002 Base-Backbone interact. energy: 0.023 local terms energy: -58.432565 where: bonds (distance) C4'-P energy: -8.313 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -140.761209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.761209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.761209 (E_RNA) where: Base-Base interactions energy: -84.099 where: short stacking energy: -37.895 Base-Backbone interact. energy: -0.375 local terms energy: -56.287281 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -8.505 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: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -68.222688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.222688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.222688 (E_RNA) where: Base-Base interactions energy: -31.248 where: short stacking energy: -22.687 Base-Backbone interact. energy: -0.226 local terms energy: -36.748889 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -8.063 tors. eta vs tors. theta energy: 1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -221.444222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.444222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.444222 (E_RNA) where: Base-Base interactions energy: -151.993 where: short stacking energy: -68.952 Base-Backbone interact. energy: -0.163 local terms energy: -69.287634 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -13.177 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -11.641 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: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -223.181240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.181240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.181240 (E_RNA) where: Base-Base interactions energy: -153.208 where: short stacking energy: -66.620 Base-Backbone interact. energy: -0.053 local terms energy: -69.920227 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -15.359 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -7.258 tors. eta vs tors. theta energy: -20.342 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: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -217.691454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.691454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.691454 (E_RNA) where: Base-Base interactions energy: -149.779 where: short stacking energy: -65.856 Base-Backbone interact. energy: -0.504 local terms energy: -67.409095 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -16.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -207.696904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.696904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.696904 (E_RNA) where: Base-Base interactions energy: -142.558 where: short stacking energy: -59.245 Base-Backbone interact. energy: -0.311 local terms energy: -64.828393 where: bonds (distance) C4'-P energy: -8.546 bonds (distance) P-C4' energy: -16.644 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -204.038605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.038605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.038605 (E_RNA) where: Base-Base interactions energy: -138.194 where: short stacking energy: -53.142 Base-Backbone interact. energy: -0.124 local terms energy: -65.720687 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -9.851 tors. eta vs tors. theta energy: -18.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -190.469407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.469407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.469407 (E_RNA) where: Base-Base interactions energy: -127.229 where: short stacking energy: -56.542 Base-Backbone interact. energy: -0.913 local terms energy: -62.326961 where: bonds (distance) C4'-P energy: -10.091 bonds (distance) P-C4' energy: -11.970 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -9.379 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: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -203.724727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.724727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.724727 (E_RNA) where: Base-Base interactions energy: -143.213 where: short stacking energy: -60.191 Base-Backbone interact. energy: -0.181 local terms energy: -60.330877 where: bonds (distance) C4'-P energy: -8.822 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -11.121 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -19.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -185.126771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.126771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.126771 (E_RNA) where: Base-Base interactions energy: -125.554 where: short stacking energy: -51.164 Base-Backbone interact. energy: -0.015 local terms energy: -59.558171 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -14.947 flat angles C4'-P-C4' energy: -11.067 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -11.161 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: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -76.869142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.869142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.869142 (E_RNA) where: Base-Base interactions energy: -30.790 where: short stacking energy: -22.364 Base-Backbone interact. energy: -0.094 local terms energy: -45.984941 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -11.587 flat angles C4'-P-C4' energy: -14.424 flat angles P-C4'-P energy: -7.044 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: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -111.980851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.980851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.980851 (E_RNA) where: Base-Base interactions energy: -66.153 where: short stacking energy: -32.536 Base-Backbone interact. energy: 0.158 local terms energy: -45.985814 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -12.547 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -2.123 tors. eta vs tors. theta energy: -7.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -221.326213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.326213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.326213 (E_RNA) where: Base-Base interactions energy: -149.834 where: short stacking energy: -66.391 Base-Backbone interact. energy: -0.181 local terms energy: -71.311735 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -12.276 tors. eta vs tors. theta energy: -15.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -221.371101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.371101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.371101 (E_RNA) where: Base-Base interactions energy: -148.820 where: short stacking energy: -69.692 Base-Backbone interact. energy: -0.573 local terms energy: -71.978818 where: bonds (distance) C4'-P energy: -14.942 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -13.419 tors. eta vs tors. theta energy: -16.450 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: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -218.186455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.186455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.186455 (E_RNA) where: Base-Base interactions energy: -144.467 where: short stacking energy: -59.258 Base-Backbone interact. energy: -0.001 local terms energy: -73.719185 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -13.475 tors. eta vs tors. theta energy: -19.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -209.861803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.861803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.861803 (E_RNA) where: Base-Base interactions energy: -141.567 where: short stacking energy: -60.761 Base-Backbone interact. energy: -0.330 local terms energy: -67.965341 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -18.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -204.574823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.574823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.574823 (E_RNA) where: Base-Base interactions energy: -144.618 where: short stacking energy: -60.833 Base-Backbone interact. energy: -0.060 local terms energy: -59.897190 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -9.677 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -14.540 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: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -198.797838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.797838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.797838 (E_RNA) where: Base-Base interactions energy: -131.268 where: short stacking energy: -64.569 Base-Backbone interact. energy: -0.116 local terms energy: -67.413615 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -8.402 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: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -182.990667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.990667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.990667 (E_RNA) where: Base-Base interactions energy: -124.507 where: short stacking energy: -63.623 Base-Backbone interact. energy: -0.304 local terms energy: -58.179461 where: bonds (distance) C4'-P energy: -8.620 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -16.132 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: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -185.662212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.662212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.662212 (E_RNA) where: Base-Base interactions energy: -128.188 where: short stacking energy: -53.178 Base-Backbone interact. energy: -0.144 local terms energy: -57.330572 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -12.013 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -8.319 tors. eta vs tors. theta energy: -14.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -70.165419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.165419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.165419 (E_RNA) where: Base-Base interactions energy: -22.945 where: short stacking energy: -19.512 Base-Backbone interact. energy: -0.088 local terms energy: -47.132919 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -17.084 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -118.954589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.954589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.954589 (E_RNA) where: Base-Base interactions energy: -64.128 where: short stacking energy: -36.786 Base-Backbone interact. energy: -0.052 local terms energy: -54.775236 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -15.898 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -8.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -221.639778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.639778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.639778 (E_RNA) where: Base-Base interactions energy: -149.520 where: short stacking energy: -67.068 Base-Backbone interact. energy: -0.006 local terms energy: -72.113928 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -10.951 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: 2, replica: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -219.798894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.798894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.798894 (E_RNA) where: Base-Base interactions energy: -144.437 where: short stacking energy: -67.723 Base-Backbone interact. energy: -0.210 local terms energy: -75.152295 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -16.565 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -13.313 tors. eta vs tors. theta energy: -20.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -211.051601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.051601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.051601 (E_RNA) where: Base-Base interactions energy: -148.545 where: short stacking energy: -61.086 Base-Backbone interact. energy: -0.019 local terms energy: -62.486851 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -9.537 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -16.290 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: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -209.626781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.626781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.626781 (E_RNA) where: Base-Base interactions energy: -149.184 where: short stacking energy: -61.504 Base-Backbone interact. energy: -0.102 local terms energy: -60.341507 where: bonds (distance) C4'-P energy: -7.572 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -17.423 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: 10 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -207.576278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.576278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.576278 (E_RNA) where: Base-Base interactions energy: -143.368 where: short stacking energy: -57.929 Base-Backbone interact. energy: -0.036 local terms energy: -64.171904 where: bonds (distance) C4'-P energy: -8.391 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -15.502 flat angles P-C4'-P energy: -7.241 tors. eta vs tors. theta energy: -17.902 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: 1 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -192.495852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.495852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.495852 (E_RNA) where: Base-Base interactions energy: -128.188 where: short stacking energy: -60.005 Base-Backbone interact. energy: -0.028 local terms energy: -64.280118 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -16.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -198.888604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.888604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.888604 (E_RNA) where: Base-Base interactions energy: -145.634 where: short stacking energy: -57.821 Base-Backbone interact. energy: -0.101 local terms energy: -53.153890 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -10.678 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -15.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -186.236171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.236171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.236171 (E_RNA) where: Base-Base interactions energy: -127.104 where: short stacking energy: -47.608 Base-Backbone interact. energy: -0.120 local terms energy: -59.012179 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -11.798 flat angles C4'-P-C4' energy: -10.873 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -16.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -102.801950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.801950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.801950 (E_RNA) where: Base-Base interactions energy: -55.158 where: short stacking energy: -31.104 Base-Backbone interact. energy: -0.131 local terms energy: -47.512248 where: bonds (distance) C4'-P energy: -15.078 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -11.484 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: 0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -71.271679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.271679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.271679 (E_RNA) where: Base-Base interactions energy: -27.170 where: short stacking energy: -22.763 Base-Backbone interact. energy: 0.856 local terms energy: -44.957938 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -14.549 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -223.527765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.527765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.527765 (E_RNA) where: Base-Base interactions energy: -152.016 where: short stacking energy: -64.876 Base-Backbone interact. energy: -0.631 local terms energy: -70.881111 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -11.856 tors. eta vs tors. theta energy: -19.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -212.585707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.585707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.585707 (E_RNA) where: Base-Base interactions energy: -144.299 where: short stacking energy: -60.284 Base-Backbone interact. energy: -0.166 local terms energy: -68.121016 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -15.157 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -11.268 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: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -216.508406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.508406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.508406 (E_RNA) where: Base-Base interactions energy: -145.978 where: short stacking energy: -64.688 Base-Backbone interact. energy: -2.532 local terms energy: -67.998362 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -12.692 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -8.573 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: 4, replica: 10 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -200.944921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.944921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.944921 (E_RNA) where: Base-Base interactions energy: -138.485 where: short stacking energy: -59.317 Base-Backbone interact. energy: -0.623 local terms energy: -61.836420 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -12.822 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -14.620 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: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -207.832342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.832342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.832342 (E_RNA) where: Base-Base interactions energy: -140.030 where: short stacking energy: -59.302 Base-Backbone interact. energy: -0.002 local terms energy: -67.800341 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -17.259 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: 161 Temperature: 1.150000 Total energy: -204.486673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.486673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.486673 (E_RNA) where: Base-Base interactions energy: -139.722 where: short stacking energy: -62.916 Base-Backbone interact. energy: -0.035 local terms energy: -64.729070 where: bonds (distance) C4'-P energy: -14.898 bonds (distance) P-C4' energy: -10.362 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -6.492 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: 7, replica: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -183.967750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.967750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.967750 (E_RNA) where: Base-Base interactions energy: -119.985 where: short stacking energy: -56.888 Base-Backbone interact. energy: -0.563 local terms energy: -63.419030 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -15.348 flat angles P-C4'-P energy: -8.746 tors. eta vs tors. theta energy: -11.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -175.888930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.888930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.888930 (E_RNA) where: Base-Base interactions energy: -123.749 where: short stacking energy: -48.313 Base-Backbone interact. energy: -0.075 local terms energy: -52.065348 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -8.315 tors. eta vs tors. theta energy: -11.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -79.899455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.899455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.899455 (E_RNA) where: Base-Base interactions energy: -36.616 where: short stacking energy: -33.058 Base-Backbone interact. energy: 0.031 local terms energy: -43.314332 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -10.828 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -8.956 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: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -75.110528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.110528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.110528 (E_RNA) where: Base-Base interactions energy: -21.311 where: short stacking energy: -19.633 Base-Backbone interact. energy: -0.056 local terms energy: -53.743425 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -7.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -221.882211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.882211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.882211 (E_RNA) where: Base-Base interactions energy: -150.391 where: short stacking energy: -64.902 Base-Backbone interact. energy: -0.047 local terms energy: -71.444668 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -17.098 flat angles C4'-P-C4' energy: -10.686 flat angles P-C4'-P energy: -10.403 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: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -220.600659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.600659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.600659 (E_RNA) where: Base-Base interactions energy: -148.500 where: short stacking energy: -66.514 Base-Backbone interact. energy: -0.123 local terms energy: -71.977643 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -16.308 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -19.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -216.957723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.957723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.957723 (E_RNA) where: Base-Base interactions energy: -150.238 where: short stacking energy: -62.006 Base-Backbone interact. energy: -0.107 local terms energy: -66.612804 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -16.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -207.720346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.720346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.720346 (E_RNA) where: Base-Base interactions energy: -145.494 where: short stacking energy: -59.125 Base-Backbone interact. energy: -0.202 local terms energy: -62.024184 where: bonds (distance) C4'-P energy: -9.158 bonds (distance) P-C4' energy: -12.945 flat angles C4'-P-C4' energy: -15.538 flat angles P-C4'-P energy: -10.010 tors. eta vs tors. theta energy: -14.373 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: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -210.218777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.218777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.218777 (E_RNA) where: Base-Base interactions energy: -142.403 where: short stacking energy: -59.319 Base-Backbone interact. energy: -0.189 local terms energy: -67.627538 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -14.242 flat angles C4'-P-C4' energy: -14.994 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -18.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -202.331592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.331592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.331592 (E_RNA) where: Base-Base interactions energy: -139.059 where: short stacking energy: -58.932 Base-Backbone interact. energy: -0.121 local terms energy: -63.151930 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -15.578 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: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -185.043174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.043174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.043174 (E_RNA) where: Base-Base interactions energy: -124.456 where: short stacking energy: -56.517 Base-Backbone interact. energy: -0.003 local terms energy: -60.584248 where: bonds (distance) C4'-P energy: -15.102 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -7.710 tors. eta vs tors. theta energy: -14.368 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: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -168.268464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.268464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.268464 (E_RNA) where: Base-Base interactions energy: -106.933 where: short stacking energy: -46.521 Base-Backbone interact. energy: -0.326 local terms energy: -61.009534 where: bonds (distance) C4'-P energy: -10.172 bonds (distance) P-C4' energy: -13.584 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -12.610 tors. eta vs tors. theta energy: -11.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -100.464938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.464938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.464938 (E_RNA) where: Base-Base interactions energy: -56.363 where: short stacking energy: -30.991 Base-Backbone interact. energy: -0.113 local terms energy: -43.988911 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -8.555 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -4.440 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: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -90.088985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.088985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.088985 (E_RNA) where: Base-Base interactions energy: -34.225 where: short stacking energy: -34.225 Base-Backbone interact. energy: -1.077 local terms energy: -54.786461 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -3.991 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: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -221.395152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.395152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.395152 (E_RNA) where: Base-Base interactions energy: -152.355 where: short stacking energy: -60.940 Base-Backbone interact. energy: -0.044 local terms energy: -68.996218 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -14.791 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -11.335 tors. eta vs tors. theta energy: -16.085 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: 2, replica: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -214.365406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.365406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.365406 (E_RNA) where: Base-Base interactions energy: -145.344 where: short stacking energy: -62.570 Base-Backbone interact. energy: 1.513 local terms energy: -70.534948 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -12.543 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -12.850 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: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -219.504756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.504756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.504756 (E_RNA) where: Base-Base interactions energy: -149.868 where: short stacking energy: -63.997 Base-Backbone interact. energy: -0.165 local terms energy: -69.472158 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -20.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -213.466306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.466306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.466306 (E_RNA) where: Base-Base interactions energy: -145.848 where: short stacking energy: -68.732 Base-Backbone interact. energy: -0.026 local terms energy: -67.592585 where: bonds (distance) C4'-P energy: -9.406 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -10.476 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: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -220.040099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.040099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.040099 (E_RNA) where: Base-Base interactions energy: -151.216 where: short stacking energy: -72.761 Base-Backbone interact. energy: -0.240 local terms energy: -68.584906 where: bonds (distance) C4'-P energy: -9.456 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -22.310 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: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -191.371221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.371221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.371221 (E_RNA) where: Base-Base interactions energy: -130.502 where: short stacking energy: -59.001 Base-Backbone interact. energy: -0.069 local terms energy: -60.800562 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -9.965 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: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -199.057383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.057383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.057383 (E_RNA) where: Base-Base interactions energy: -139.727 where: short stacking energy: -60.095 Base-Backbone interact. energy: -0.097 local terms energy: -59.234164 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -13.784 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -13.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -195.804011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.804011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.804011 (E_RNA) where: Base-Base interactions energy: -135.304 where: short stacking energy: -53.379 Base-Backbone interact. energy: -0.308 local terms energy: -60.192121 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -11.234 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -13.232 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: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -105.290040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.290040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.290040 (E_RNA) where: Base-Base interactions energy: -56.193 where: short stacking energy: -31.038 Base-Backbone interact. energy: -0.142 local terms energy: -48.955347 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.575 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -8.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -65.978732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.978732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.978732 (E_RNA) where: Base-Base interactions energy: -25.171 where: short stacking energy: -25.171 Base-Backbone interact. energy: -0.354 local terms energy: -40.453407 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -10.196 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -214.700709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.700709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.700709 (E_RNA) where: Base-Base interactions energy: -153.668 where: short stacking energy: -57.857 Base-Backbone interact. energy: -0.004 local terms energy: -61.028884 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -10.700 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -14.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -215.490856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.490856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.490856 (E_RNA) where: Base-Base interactions energy: -142.628 where: short stacking energy: -58.635 Base-Backbone interact. energy: -2.156 local terms energy: -70.706519 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -11.823 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: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -220.188962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.188962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.188962 (E_RNA) where: Base-Base interactions energy: -148.091 where: short stacking energy: -70.455 Base-Backbone interact. energy: -0.212 local terms energy: -71.886675 where: bonds (distance) C4'-P energy: -12.980 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -19.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -213.239208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.239208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.239208 (E_RNA) where: Base-Base interactions energy: -147.173 where: short stacking energy: -66.027 Base-Backbone interact. energy: -0.060 local terms energy: -66.006104 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -6.961 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: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -205.633224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.633224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.633224 (E_RNA) where: Base-Base interactions energy: -141.096 where: short stacking energy: -63.146 Base-Backbone interact. energy: -0.151 local terms energy: -64.385910 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -11.721 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -19.854 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: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -191.446180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.446180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.446180 (E_RNA) where: Base-Base interactions energy: -125.260 where: short stacking energy: -60.608 Base-Backbone interact. energy: -0.248 local terms energy: -65.938181 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -17.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -201.864818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.864818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.864818 (E_RNA) where: Base-Base interactions energy: -136.805 where: short stacking energy: -60.338 Base-Backbone interact. energy: -0.818 local terms energy: -64.241362 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -11.562 tors. eta vs tors. theta energy: -17.052 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: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -191.659394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.659394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.659394 (E_RNA) where: Base-Base interactions energy: -131.677 where: short stacking energy: -50.043 Base-Backbone interact. energy: -0.097 local terms energy: -59.885668 where: bonds (distance) C4'-P energy: -10.806 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -14.321 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: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -79.101673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.101673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.101673 (E_RNA) where: Base-Base interactions energy: -31.998 where: short stacking energy: -26.860 Base-Backbone interact. energy: -0.039 local terms energy: -47.064889 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -83.713238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.713238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.713238 (E_RNA) where: Base-Base interactions energy: -36.705 where: short stacking energy: -30.868 Base-Backbone interact. energy: 1.830 local terms energy: -48.838754 where: bonds (distance) C4'-P energy: -8.321 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -4.362 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: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -222.307518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.307518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.307518 (E_RNA) where: Base-Base interactions energy: -144.065 where: short stacking energy: -62.007 Base-Backbone interact. energy: -0.809 local terms energy: -77.433577 where: bonds (distance) C4'-P energy: -15.757 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -11.723 tors. eta vs tors. theta energy: -19.733 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: 165 Temperature: 0.950000 Total energy: -221.985206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.985206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.985206 (E_RNA) where: Base-Base interactions energy: -143.918 where: short stacking energy: -63.791 Base-Backbone interact. energy: 0.074 local terms energy: -78.141618 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -13.677 tors. eta vs tors. theta energy: -17.935 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: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -214.056287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.056287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.056287 (E_RNA) where: Base-Base interactions energy: -148.020 where: short stacking energy: -64.051 Base-Backbone interact. energy: -0.023 local terms energy: -66.012895 where: bonds (distance) C4'-P energy: -12.293 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -16.433 flat angles P-C4'-P energy: -5.038 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: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -208.773701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.773701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.773701 (E_RNA) where: Base-Base interactions energy: -149.434 where: short stacking energy: -58.712 Base-Backbone interact. energy: -0.481 local terms energy: -58.859109 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -12.636 flat angles C4'-P-C4' energy: -15.381 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -13.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -204.475718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.475718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.475718 (E_RNA) where: Base-Base interactions energy: -139.851 where: short stacking energy: -51.723 Base-Backbone interact. energy: -0.081 local terms energy: -64.543881 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -8.504 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: 6, replica: 9 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -204.258179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.258179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.258179 (E_RNA) where: Base-Base interactions energy: -135.530 where: short stacking energy: -62.885 Base-Backbone interact. energy: -0.106 local terms energy: -68.623125 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -15.846 flat angles P-C4'-P energy: -9.152 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: 7, replica: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -187.125972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.125972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.125972 (E_RNA) where: Base-Base interactions energy: -128.494 where: short stacking energy: -55.291 Base-Backbone interact. energy: -0.270 local terms energy: -58.361921 where: bonds (distance) C4'-P energy: -13.907 bonds (distance) P-C4' energy: -12.678 flat angles C4'-P-C4' energy: -10.785 flat angles P-C4'-P energy: -7.803 tors. eta vs tors. theta energy: -13.189 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: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -200.062034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.062034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.062034 (E_RNA) where: Base-Base interactions energy: -142.137 where: short stacking energy: -60.997 Base-Backbone interact. energy: -0.090 local terms energy: -57.835224 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -12.139 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -15.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -84.306038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.306038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.306038 (E_RNA) where: Base-Base interactions energy: -28.672 where: short stacking energy: -28.672 Base-Backbone interact. energy: -0.205 local terms energy: -55.429732 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -11.509 flat angles P-C4'-P energy: -7.277 tors. eta vs tors. theta energy: -6.945 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: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -77.110919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.110919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.110919 (E_RNA) where: Base-Base interactions energy: -28.580 where: short stacking energy: -25.295 Base-Backbone interact. energy: -0.001 local terms energy: -48.530486 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -225.682589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.682589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.682589 (E_RNA) where: Base-Base interactions energy: -145.907 where: short stacking energy: -69.779 Base-Backbone interact. energy: -0.009 local terms energy: -79.767181 where: bonds (distance) C4'-P energy: -15.438 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -15.691 flat angles P-C4'-P energy: -11.874 tors. eta vs tors. theta energy: -21.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -221.368686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.368686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.368686 (E_RNA) where: Base-Base interactions energy: -146.600 where: short stacking energy: -65.606 Base-Backbone interact. energy: -0.016 local terms energy: -74.752372 where: bonds (distance) C4'-P energy: -15.546 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -16.001 flat angles P-C4'-P energy: -10.739 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: 3, replica: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -215.147690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.147690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.147690 (E_RNA) where: Base-Base interactions energy: -148.652 where: short stacking energy: -61.620 Base-Backbone interact. energy: -0.001 local terms energy: -66.494751 where: bonds (distance) C4'-P energy: -10.329 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -10.698 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: 4, replica: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -213.385537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.385537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.385537 (E_RNA) where: Base-Base interactions energy: -143.023 where: short stacking energy: -63.477 Base-Backbone interact. energy: -0.386 local terms energy: -69.976256 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -9.442 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: 5, replica: 9 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -212.112815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.112815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.112815 (E_RNA) where: Base-Base interactions energy: -147.333 where: short stacking energy: -63.221 Base-Backbone interact. energy: -0.085 local terms energy: -64.694457 where: bonds (distance) C4'-P energy: -8.956 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -18.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -198.331674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.331674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.331674 (E_RNA) where: Base-Base interactions energy: -141.322 where: short stacking energy: -53.852 Base-Backbone interact. energy: -0.117 local terms energy: -56.892331 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -9.374 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -10.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -201.389019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.389019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.389019 (E_RNA) where: Base-Base interactions energy: -140.567 where: short stacking energy: -59.348 Base-Backbone interact. energy: -0.645 local terms energy: -60.176478 where: bonds (distance) C4'-P energy: -10.221 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -16.520 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: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -161.217235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.217235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.217235 (E_RNA) where: Base-Base interactions energy: -102.539 where: short stacking energy: -53.370 Base-Backbone interact. energy: -0.082 local terms energy: -58.595947 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -10.217 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -10.985 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: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -72.234335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.234335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.234335 (E_RNA) where: Base-Base interactions energy: -17.354 where: short stacking energy: -15.696 Base-Backbone interact. energy: -0.029 local terms energy: -54.851324 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -66.755989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.755989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.755989 (E_RNA) where: Base-Base interactions energy: -25.706 where: short stacking energy: -25.546 Base-Backbone interact. energy: -0.083 local terms energy: -40.967657 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -9.224 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -11.192 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -222.585671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.585671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.585671 (E_RNA) where: Base-Base interactions energy: -151.978 where: short stacking energy: -70.316 Base-Backbone interact. energy: -1.506 local terms energy: -69.101852 where: bonds (distance) C4'-P energy: -13.127 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -19.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -219.224186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.224186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.224186 (E_RNA) where: Base-Base interactions energy: -152.918 where: short stacking energy: -65.058 Base-Backbone interact. energy: -0.409 local terms energy: -65.897287 where: bonds (distance) C4'-P energy: -16.204 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -15.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -222.429154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.429154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.429154 (E_RNA) where: Base-Base interactions energy: -152.435 where: short stacking energy: -66.274 Base-Backbone interact. energy: -0.772 local terms energy: -69.221353 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -11.306 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: 4, replica: 9 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -213.845971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.845971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.845971 (E_RNA) where: Base-Base interactions energy: -145.820 where: short stacking energy: -65.914 Base-Backbone interact. energy: -0.079 local terms energy: -67.947325 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -11.903 flat angles P-C4'-P energy: -7.793 tors. eta vs tors. theta energy: -19.908 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: 5 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -209.620108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.620108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.620108 (E_RNA) where: Base-Base interactions energy: -150.558 where: short stacking energy: -65.742 Base-Backbone interact. energy: -0.459 local terms energy: -58.603170 where: bonds (distance) C4'-P energy: -9.435 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -6.034 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: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -208.069428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.069428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.069428 (E_RNA) where: Base-Base interactions energy: -142.255 where: short stacking energy: -61.210 Base-Backbone interact. energy: -0.006 local terms energy: -65.808728 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -11.818 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -16.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -191.744657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.744657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.744657 (E_RNA) where: Base-Base interactions energy: -132.146 where: short stacking energy: -48.196 Base-Backbone interact. energy: -0.245 local terms energy: -59.353491 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -9.434 tors. eta vs tors. theta energy: -10.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -177.686674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.686674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.686674 (E_RNA) where: Base-Base interactions energy: -118.068 where: short stacking energy: -49.065 Base-Backbone interact. energy: -0.094 local terms energy: -59.524177 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -8.560 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -13.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -74.526295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.526295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.526295 (E_RNA) where: Base-Base interactions energy: -35.504 where: short stacking energy: -35.048 Base-Backbone interact. energy: -0.012 local terms energy: -39.009675 where: bonds (distance) C4'-P energy: -8.123 bonds (distance) P-C4' energy: -10.496 flat angles C4'-P-C4' energy: -9.470 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -4.443 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: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -70.434337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.434337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.434337 (E_RNA) where: Base-Base interactions energy: -25.877 where: short stacking energy: -25.877 Base-Backbone interact. energy: -0.141 local terms energy: -44.417006 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -8.972 flat angles C4'-P-C4' energy: -10.020 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -223.763507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.763507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.763507 (E_RNA) where: Base-Base interactions energy: -148.625 where: short stacking energy: -64.126 Base-Backbone interact. energy: -1.425 local terms energy: -73.713288 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -16.311 flat angles P-C4'-P energy: -10.494 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: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -216.275536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.275536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.275536 (E_RNA) where: Base-Base interactions energy: -147.576 where: short stacking energy: -61.450 Base-Backbone interact. energy: -0.320 local terms energy: -68.379057 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -8.446 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: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -209.543719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.543719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.543719 (E_RNA) where: Base-Base interactions energy: -139.394 where: short stacking energy: -62.941 Base-Backbone interact. energy: -0.053 local terms energy: -70.097585 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -16.562 flat angles C4'-P-C4' energy: -14.321 flat angles P-C4'-P energy: -10.164 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: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -207.969186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.969186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.969186 (E_RNA) where: Base-Base interactions energy: -138.234 where: short stacking energy: -61.265 Base-Backbone interact. energy: -0.094 local terms energy: -69.641956 where: bonds (distance) C4'-P energy: -16.638 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -7.908 tors. eta vs tors. theta energy: -17.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -205.161350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.161350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.161350 (E_RNA) where: Base-Base interactions energy: -142.875 where: short stacking energy: -57.967 Base-Backbone interact. energy: -0.143 local terms energy: -62.142943 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -12.262 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -10.841 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: 6, replica: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -208.769381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.769381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.769381 (E_RNA) where: Base-Base interactions energy: -142.809 where: short stacking energy: -61.364 Base-Backbone interact. energy: -0.336 local terms energy: -65.624267 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -15.968 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: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -185.082021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.082021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.082021 (E_RNA) where: Base-Base interactions energy: -123.199 where: short stacking energy: -50.460 Base-Backbone interact. energy: -0.091 local terms energy: -61.791302 where: bonds (distance) C4'-P energy: -12.660 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -15.014 flat angles P-C4'-P energy: -10.461 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: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -183.801142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.801142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.801142 (E_RNA) where: Base-Base interactions energy: -124.136 where: short stacking energy: -54.088 Base-Backbone interact. energy: -0.005 local terms energy: -59.660111 where: bonds (distance) C4'-P energy: -8.801 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -16.025 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -15.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -81.350872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.350872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.350872 (E_RNA) where: Base-Base interactions energy: -38.477 where: short stacking energy: -27.832 Base-Backbone interact. energy: -0.149 local terms energy: -42.725027 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -7.246 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: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -75.435918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.435918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.435918 (E_RNA) where: Base-Base interactions energy: -26.748 where: short stacking energy: -26.748 Base-Backbone interact. energy: -0.159 local terms energy: -48.528340 where: bonds (distance) C4'-P energy: -8.778 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -10.112 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -221.596208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.596208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.596208 (E_RNA) where: Base-Base interactions energy: -147.157 where: short stacking energy: -65.457 Base-Backbone interact. energy: 1.146 local terms energy: -75.585611 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -11.252 tors. eta vs tors. theta energy: -19.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -221.408441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.408441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.408441 (E_RNA) where: Base-Base interactions energy: -152.787 where: short stacking energy: -66.829 Base-Backbone interact. energy: -1.199 local terms energy: -67.422673 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -9.615 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: 3, replica: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -221.754786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.754786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.754786 (E_RNA) where: Base-Base interactions energy: -152.028 where: short stacking energy: -66.128 Base-Backbone interact. energy: -0.001 local terms energy: -69.726674 where: bonds (distance) C4'-P energy: -11.422 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -10.335 tors. eta vs tors. theta energy: -19.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -209.423455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.423455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.423455 (E_RNA) where: Base-Base interactions energy: -144.336 where: short stacking energy: -62.287 Base-Backbone interact. energy: -0.003 local terms energy: -65.084170 where: bonds (distance) C4'-P energy: -10.822 bonds (distance) P-C4' energy: -15.101 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -202.746846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.746846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.746846 (E_RNA) where: Base-Base interactions energy: -145.923 where: short stacking energy: -62.340 Base-Backbone interact. energy: 0.312 local terms energy: -57.135828 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -8.484 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -17.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -201.186086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.186086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.186086 (E_RNA) where: Base-Base interactions energy: -133.818 where: short stacking energy: -55.566 Base-Backbone interact. energy: -0.397 local terms energy: -66.971380 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -11.406 tors. eta vs tors. theta energy: -13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -172.441627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.441627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.441627 (E_RNA) where: Base-Base interactions energy: -116.419 where: short stacking energy: -50.859 Base-Backbone interact. energy: -0.337 local terms energy: -55.684779 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -13.927 flat angles C4'-P-C4' energy: -9.957 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -11.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -194.805226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.805226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.805226 (E_RNA) where: Base-Base interactions energy: -129.624 where: short stacking energy: -56.524 Base-Backbone interact. energy: -0.005 local terms energy: -65.176184 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -10.895 flat angles P-C4'-P energy: -7.825 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: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -76.536187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.536187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.536187 (E_RNA) where: Base-Base interactions energy: -29.925 where: short stacking energy: -29.925 Base-Backbone interact. energy: -0.002 local terms energy: -46.609617 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -9.210 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -7.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -68.779303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.779303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.779303 (E_RNA) where: Base-Base interactions energy: -23.852 where: short stacking energy: -23.852 Base-Backbone interact. energy: -0.117 local terms energy: -44.809910 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -221.742096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.742096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.742096 (E_RNA) where: Base-Base interactions energy: -152.959 where: short stacking energy: -70.467 Base-Backbone interact. energy: -0.003 local terms energy: -68.779836 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -16.181 flat angles P-C4'-P energy: -7.414 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: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -218.657901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.657901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.657901 (E_RNA) where: Base-Base interactions energy: -147.754 where: short stacking energy: -66.599 Base-Backbone interact. energy: -0.013 local terms energy: -70.891428 where: bonds (distance) C4'-P energy: -15.203 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -9.767 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: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -209.134681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.134681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.134681 (E_RNA) where: Base-Base interactions energy: -140.573 where: short stacking energy: -57.406 Base-Backbone interact. energy: -0.784 local terms energy: -67.778406 where: bonds (distance) C4'-P energy: -12.942 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -11.787 tors. eta vs tors. theta energy: -15.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -212.536017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.536017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.536017 (E_RNA) where: Base-Base interactions energy: -147.302 where: short stacking energy: -62.867 Base-Backbone interact. energy: -0.593 local terms energy: -64.641112 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -17.973 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: 170 Temperature: 1.100000 Total energy: -201.886635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.886635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.886635 (E_RNA) where: Base-Base interactions energy: -136.046 where: short stacking energy: -56.132 Base-Backbone interact. energy: -0.049 local terms energy: -65.791676 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -11.601 flat angles C4'-P-C4' energy: -10.989 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -18.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -207.388918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.388918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.388918 (E_RNA) where: Base-Base interactions energy: -145.548 where: short stacking energy: -60.540 Base-Backbone interact. energy: -0.228 local terms energy: -61.613822 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -9.148 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: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -191.464653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.464653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.464653 (E_RNA) where: Base-Base interactions energy: -131.688 where: short stacking energy: -63.360 Base-Backbone interact. energy: -0.045 local terms energy: -59.731665 where: bonds (distance) C4'-P energy: -11.800 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -10.280 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: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -175.050990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.050990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.050990 (E_RNA) where: Base-Base interactions energy: -107.985 where: short stacking energy: -43.366 Base-Backbone interact. energy: -0.001 local terms energy: -67.064378 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -12.794 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: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -79.130692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.130692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.130692 (E_RNA) where: Base-Base interactions energy: -34.564 where: short stacking energy: -33.489 Base-Backbone interact. energy: -0.021 local terms energy: -44.545691 where: bonds (distance) C4'-P energy: -11.066 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -9.145 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -6.856 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: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -75.172879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.172879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.172879 (E_RNA) where: Base-Base interactions energy: -38.462 where: short stacking energy: -33.156 Base-Backbone interact. energy: -0.088 local terms energy: -36.623450 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -9.555 flat angles P-C4'-P energy: -1.095 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -217.279149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.279149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.279149 (E_RNA) where: Base-Base interactions energy: -142.807 where: short stacking energy: -61.414 Base-Backbone interact. energy: -0.261 local terms energy: -74.210339 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -11.303 tors. eta vs tors. theta energy: -18.526 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: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -212.817719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.817719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.817719 (E_RNA) where: Base-Base interactions energy: -145.132 where: short stacking energy: -60.471 Base-Backbone interact. energy: -0.386 local terms energy: -67.299396 where: bonds (distance) C4'-P energy: -11.389 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -8.483 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: 3, replica: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -209.265264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.265264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.265264 (E_RNA) where: Base-Base interactions energy: -139.081 where: short stacking energy: -61.519 Base-Backbone interact. energy: -0.093 local terms energy: -70.091489 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -15.058 flat angles C4'-P-C4' energy: -14.843 flat angles P-C4'-P energy: -9.290 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: 9 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -204.365388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.365388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.365388 (E_RNA) where: Base-Base interactions energy: -140.928 where: short stacking energy: -57.905 Base-Backbone interact. energy: -0.103 local terms energy: -63.334518 where: bonds (distance) C4'-P energy: -11.380 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -8.298 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: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -212.255095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.255095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.255095 (E_RNA) where: Base-Base interactions energy: -148.634 where: short stacking energy: -65.935 Base-Backbone interact. energy: -0.002 local terms energy: -63.618952 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -21.230 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: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -198.844758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.844758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.844758 (E_RNA) where: Base-Base interactions energy: -133.131 where: short stacking energy: -57.456 Base-Backbone interact. energy: -0.175 local terms energy: -65.539643 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -10.488 flat angles P-C4'-P energy: -12.666 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: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -193.398895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.398895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.398895 (E_RNA) where: Base-Base interactions energy: -133.653 where: short stacking energy: -60.478 Base-Backbone interact. energy: -0.001 local terms energy: -59.745623 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -12.692 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -8.117 tors. eta vs tors. theta energy: -15.854 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: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -85.741947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.741947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.741947 (E_RNA) where: Base-Base interactions energy: -38.935 where: short stacking energy: -32.727 Base-Backbone interact. energy: -0.183 local terms energy: -46.623619 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -146.885784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.885784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.885784 (E_RNA) where: Base-Base interactions energy: -93.282 where: short stacking energy: -45.799 Base-Backbone interact. energy: -0.203 local terms energy: -53.401452 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -10.669 tors. eta vs tors. theta energy: -9.113 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: 171 Temperature: 1.350000 Total energy: -72.430642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.430642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.430642 (E_RNA) where: Base-Base interactions energy: -26.185 where: short stacking energy: -26.185 Base-Backbone interact. energy: -0.134 local terms energy: -46.111721 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -12.310 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: 1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -218.532190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.532190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.532190 (E_RNA) where: Base-Base interactions energy: -152.580 where: short stacking energy: -68.071 Base-Backbone interact. energy: -0.615 local terms energy: -65.337463 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -11.678 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: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -218.263357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.263357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.263357 (E_RNA) where: Base-Base interactions energy: -147.539 where: short stacking energy: -64.826 Base-Backbone interact. energy: -0.794 local terms energy: -69.930555 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -10.111 flat angles C4'-P-C4' energy: -15.180 flat angles P-C4'-P energy: -13.450 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: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -214.943957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.943957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.943957 (E_RNA) where: Base-Base interactions energy: -148.316 where: short stacking energy: -65.637 Base-Backbone interact. energy: -0.012 local terms energy: -66.615500 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -12.786 flat angles C4'-P-C4' energy: -14.275 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -17.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -205.285402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.285402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.285402 (E_RNA) where: Base-Base interactions energy: -141.839 where: short stacking energy: -59.241 Base-Backbone interact. energy: -0.258 local terms energy: -63.188643 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -14.849 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -13.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -210.072061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.072061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.072061 (E_RNA) where: Base-Base interactions energy: -139.805 where: short stacking energy: -62.093 Base-Backbone interact. energy: -0.050 local terms energy: -70.217063 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -11.262 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: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -202.900852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.900852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.900852 (E_RNA) where: Base-Base interactions energy: -137.266 where: short stacking energy: -57.396 Base-Backbone interact. energy: -0.027 local terms energy: -65.607256 where: bonds (distance) C4'-P energy: -9.630 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -14.687 flat angles P-C4'-P energy: -8.813 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: 7, replica: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -179.136336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.136336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.136336 (E_RNA) where: Base-Base interactions energy: -122.447 where: short stacking energy: -52.719 Base-Backbone interact. energy: -0.252 local terms energy: -56.437160 where: bonds (distance) C4'-P energy: -10.955 bonds (distance) P-C4' energy: -9.961 flat angles C4'-P-C4' energy: -14.415 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -14.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -80.009913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.009913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.009913 (E_RNA) where: Base-Base interactions energy: -35.779 where: short stacking energy: -29.141 Base-Backbone interact. energy: 0.052 local terms energy: -44.283248 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -10.233 flat angles C4'-P-C4' energy: -11.757 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -4.596 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: 4 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -169.243267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.243267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.243267 (E_RNA) where: Base-Base interactions energy: -113.205 where: short stacking energy: -47.584 Base-Backbone interact. energy: -0.098 local terms energy: -55.940225 where: bonds (distance) C4'-P energy: -9.713 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -7.858 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: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -72.076324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.076324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.076324 (E_RNA) where: Base-Base interactions energy: -24.628 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.020 local terms energy: -47.427902 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -9.676 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -221.033005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.033005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.033005 (E_RNA) where: Base-Base interactions energy: -145.947 where: short stacking energy: -61.824 Base-Backbone interact. energy: -0.939 local terms energy: -74.147490 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -15.791 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -19.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -217.031918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.031918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.031918 (E_RNA) where: Base-Base interactions energy: -153.047 where: short stacking energy: -66.335 Base-Backbone interact. energy: -0.001 local terms energy: -63.983956 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -19.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -203.730134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.730134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.730134 (E_RNA) where: Base-Base interactions energy: -141.347 where: short stacking energy: -58.579 Base-Backbone interact. energy: -0.117 local terms energy: -62.266250 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -13.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -207.723603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.723603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.723603 (E_RNA) where: Base-Base interactions energy: -141.798 where: short stacking energy: -61.138 Base-Backbone interact. energy: -0.066 local terms energy: -65.858952 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -8.660 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: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -205.602245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.602245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.602245 (E_RNA) where: Base-Base interactions energy: -140.502 where: short stacking energy: -57.476 Base-Backbone interact. energy: -0.281 local terms energy: -64.819546 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -15.186 flat angles P-C4'-P energy: -11.865 tors. eta vs tors. theta energy: -16.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -209.653549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.653549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.653549 (E_RNA) where: Base-Base interactions energy: -145.133 where: short stacking energy: -60.804 Base-Backbone interact. energy: -0.005 local terms energy: -64.514986 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -11.573 flat angles P-C4'-P energy: -11.082 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: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -192.218065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.218065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.218065 (E_RNA) where: Base-Base interactions energy: -125.600 where: short stacking energy: -56.227 Base-Backbone interact. energy: 0.793 local terms energy: -67.411236 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -7.535 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: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -176.958139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.958139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.958139 (E_RNA) where: Base-Base interactions energy: -109.479 where: short stacking energy: -49.496 Base-Backbone interact. energy: -0.019 local terms energy: -67.459507 where: bonds (distance) C4'-P energy: -15.385 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -10.377 tors. eta vs tors. theta energy: -16.128 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: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -76.541346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.541346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.541346 (E_RNA) where: Base-Base interactions energy: -28.841 where: short stacking energy: -28.841 Base-Backbone interact. energy: -0.060 local terms energy: -47.640036 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -72.039807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.039807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.039807 (E_RNA) where: Base-Base interactions energy: -25.749 where: short stacking energy: -24.126 Base-Backbone interact. energy: -0.002 local terms energy: -46.288835 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -13.107 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -226.008953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.008953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.008953 (E_RNA) where: Base-Base interactions energy: -156.508 where: short stacking energy: -68.849 Base-Backbone interact. energy: -0.008 local terms energy: -69.493255 where: bonds (distance) C4'-P energy: -11.451 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -10.694 tors. eta vs tors. theta energy: -18.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -219.696678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.696678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.696678 (E_RNA) where: Base-Base interactions energy: -145.477 where: short stacking energy: -61.359 Base-Backbone interact. energy: -0.101 local terms energy: -74.118641 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -11.449 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: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -219.406941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.406941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.406941 (E_RNA) where: Base-Base interactions energy: -140.533 where: short stacking energy: -59.720 Base-Backbone interact. energy: -0.658 local terms energy: -78.216154 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -16.243 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -11.638 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: 4, replica: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -217.113055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.113055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.113055 (E_RNA) where: Base-Base interactions energy: -151.718 where: short stacking energy: -66.452 Base-Backbone interact. energy: -0.089 local terms energy: -65.306016 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -18.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -211.719341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.719341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.719341 (E_RNA) where: Base-Base interactions energy: -146.405 where: short stacking energy: -67.209 Base-Backbone interact. energy: -0.036 local terms energy: -65.277839 where: bonds (distance) C4'-P energy: -8.174 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -11.465 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: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -199.119522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.119522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.119522 (E_RNA) where: Base-Base interactions energy: -141.260 where: short stacking energy: -55.277 Base-Backbone interact. energy: -0.087 local terms energy: -57.772394 where: bonds (distance) C4'-P energy: -8.260 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -13.646 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: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -188.555050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.555050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.555050 (E_RNA) where: Base-Base interactions energy: -123.801 where: short stacking energy: -56.699 Base-Backbone interact. energy: -0.002 local terms energy: -64.751993 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -13.813 flat angles P-C4'-P energy: -8.649 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: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -192.732301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.732301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.732301 (E_RNA) where: Base-Base interactions energy: -138.240 where: short stacking energy: -57.539 Base-Backbone interact. energy: -0.017 local terms energy: -54.475577 where: bonds (distance) C4'-P energy: -8.732 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -10.099 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -16.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -73.832184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.832184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.832184 (E_RNA) where: Base-Base interactions energy: -21.085 where: short stacking energy: -15.456 Base-Backbone interact. energy: -0.073 local terms energy: -52.674469 where: bonds (distance) C4'-P energy: -11.956 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -10.172 tors. eta vs tors. theta energy: -3.737 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: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -73.341025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.341025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.341025 (E_RNA) where: Base-Base interactions energy: -30.286 where: short stacking energy: -30.286 Base-Backbone interact. energy: 0.167 local terms energy: -43.221472 where: bonds (distance) C4'-P energy: -11.543 bonds (distance) P-C4' energy: -8.442 flat angles C4'-P-C4' energy: -10.242 flat angles P-C4'-P energy: -8.335 tors. eta vs tors. theta energy: -4.659 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: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -220.409939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.409939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.409939 (E_RNA) where: Base-Base interactions energy: -151.276 where: short stacking energy: -68.940 Base-Backbone interact. energy: -0.313 local terms energy: -68.820848 where: bonds (distance) C4'-P energy: -12.056 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -18.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -223.320507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.320507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.320507 (E_RNA) where: Base-Base interactions energy: -152.801 where: short stacking energy: -67.021 Base-Backbone interact. energy: -0.591 local terms energy: -69.928402 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -11.031 tors. eta vs tors. theta energy: -19.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -213.065316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.065316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.065316 (E_RNA) where: Base-Base interactions energy: -140.597 where: short stacking energy: -65.302 Base-Backbone interact. energy: -0.596 local terms energy: -71.872414 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -18.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -210.873864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.873864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.873864 (E_RNA) where: Base-Base interactions energy: -141.410 where: short stacking energy: -58.623 Base-Backbone interact. energy: -0.005 local terms energy: -69.458300 where: bonds (distance) C4'-P energy: -10.835 bonds (distance) P-C4' energy: -13.568 flat angles C4'-P-C4' energy: -14.546 flat angles P-C4'-P energy: -11.896 tors. eta vs tors. theta energy: -18.613 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: 5, replica: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -210.425646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.425646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.425646 (E_RNA) where: Base-Base interactions energy: -146.027 where: short stacking energy: -63.664 Base-Backbone interact. energy: -0.043 local terms energy: -64.355218 where: bonds (distance) C4'-P energy: -10.087 bonds (distance) P-C4' energy: -10.906 flat angles C4'-P-C4' energy: -12.734 flat angles P-C4'-P energy: -10.679 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: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -183.660250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.660250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.660250 (E_RNA) where: Base-Base interactions energy: -124.917 where: short stacking energy: -55.580 Base-Backbone interact. energy: -0.130 local terms energy: -58.613109 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -7.440 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: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -189.284814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.284814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.284814 (E_RNA) where: Base-Base interactions energy: -133.609 where: short stacking energy: -56.711 Base-Backbone interact. energy: -0.084 local terms energy: -55.592171 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -10.273 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -195.387643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.387643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.387643 (E_RNA) where: Base-Base interactions energy: -134.119 where: short stacking energy: -55.596 Base-Backbone interact. energy: 0.284 local terms energy: -61.552887 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -10.389 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -9.389 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: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -78.538063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.538063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.538063 (E_RNA) where: Base-Base interactions energy: -33.787 where: short stacking energy: -33.787 Base-Backbone interact. energy: 1.088 local terms energy: -45.838837 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -12.661 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -70.375751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.375751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.375751 (E_RNA) where: Base-Base interactions energy: -28.505 where: short stacking energy: -28.505 Base-Backbone interact. energy: -0.057 local terms energy: -41.813249 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -13.630 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: 0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -221.480514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.480514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.480514 (E_RNA) where: Base-Base interactions energy: -152.748 where: short stacking energy: -66.128 Base-Backbone interact. energy: -0.000 local terms energy: -68.731671 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -11.086 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -11.512 tors. eta vs tors. theta energy: -19.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -214.834598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.834598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.834598 (E_RNA) where: Base-Base interactions energy: -143.487 where: short stacking energy: -57.377 Base-Backbone interact. energy: -0.753 local terms energy: -70.594983 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -11.624 tors. eta vs tors. theta energy: -17.926 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: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -213.940000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.940000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.940000 (E_RNA) where: Base-Base interactions energy: -150.620 where: short stacking energy: -66.450 Base-Backbone interact. energy: -0.024 local terms energy: -63.295653 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -12.991 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -20.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -206.974589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.974589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.974589 (E_RNA) where: Base-Base interactions energy: -140.543 where: short stacking energy: -56.308 Base-Backbone interact. energy: -0.077 local terms energy: -66.354560 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -11.972 tors. eta vs tors. theta energy: -16.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -192.133605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.133605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.133605 (E_RNA) where: Base-Base interactions energy: -125.082 where: short stacking energy: -50.903 Base-Backbone interact. energy: -0.105 local terms energy: -66.946448 where: bonds (distance) C4'-P energy: -12.457 bonds (distance) P-C4' energy: -15.844 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -10.002 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: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -198.329223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.329223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.329223 (E_RNA) where: Base-Base interactions energy: -138.250 where: short stacking energy: -58.269 Base-Backbone interact. energy: -0.350 local terms energy: -59.729027 where: bonds (distance) C4'-P energy: -7.735 bonds (distance) P-C4' energy: -12.865 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -6.903 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: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -167.836042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.836042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.836042 (E_RNA) where: Base-Base interactions energy: -114.427 where: short stacking energy: -43.400 Base-Backbone interact. energy: -0.151 local terms energy: -53.258482 where: bonds (distance) C4'-P energy: -8.719 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -13.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -193.279430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.279430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.279430 (E_RNA) where: Base-Base interactions energy: -129.535 where: short stacking energy: -53.240 Base-Backbone interact. energy: -0.444 local terms energy: -63.300106 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -14.255 flat angles P-C4'-P energy: -10.247 tors. eta vs tors. theta energy: -13.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -79.455606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.455606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.455606 (E_RNA) where: Base-Base interactions energy: -31.250 where: short stacking energy: -31.250 Base-Backbone interact. energy: -0.329 local terms energy: -47.876070 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -8.470 flat angles C4'-P-C4' energy: -16.767 flat angles P-C4'-P energy: -7.879 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: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -69.384910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.384910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.384910 (E_RNA) where: Base-Base interactions energy: -17.823 where: short stacking energy: -17.823 Base-Backbone interact. energy: -0.089 local terms energy: -51.473110 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -9.533 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: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -226.396521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.396521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.396521 (E_RNA) where: Base-Base interactions energy: -150.983 where: short stacking energy: -70.682 Base-Backbone interact. energy: -0.023 local terms energy: -75.390475 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -10.987 tors. eta vs tors. theta energy: -20.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -221.578600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.578600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.578600 (E_RNA) where: Base-Base interactions energy: -147.149 where: short stacking energy: -63.855 Base-Backbone interact. energy: -0.032 local terms energy: -74.397229 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -21.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -212.587869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.587869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.587869 (E_RNA) where: Base-Base interactions energy: -155.630 where: short stacking energy: -66.816 Base-Backbone interact. energy: 1.508 local terms energy: -58.466425 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -16.388 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: 4, replica: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -205.831887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.831887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.831887 (E_RNA) where: Base-Base interactions energy: -138.881 where: short stacking energy: -64.766 Base-Backbone interact. energy: -0.018 local terms energy: -66.932894 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -7.331 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -12.321 tors. eta vs tors. theta energy: -17.794 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: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -205.473799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.473799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.473799 (E_RNA) where: Base-Base interactions energy: -143.906 where: short stacking energy: -61.935 Base-Backbone interact. energy: -0.002 local terms energy: -61.565394 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -6.282 tors. eta vs tors. theta energy: -17.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -200.822070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.822070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.822070 (E_RNA) where: Base-Base interactions energy: -134.569 where: short stacking energy: -60.506 Base-Backbone interact. energy: -0.001 local terms energy: -66.252464 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -15.646 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -15.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -184.155425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.155425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.155425 (E_RNA) where: Base-Base interactions energy: -130.775 where: short stacking energy: -45.695 Base-Backbone interact. energy: 0.123 local terms energy: -53.502661 where: bonds (distance) C4'-P energy: -10.653 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -8.713 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: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -191.189233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.189233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.189233 (E_RNA) where: Base-Base interactions energy: -134.672 where: short stacking energy: -54.805 Base-Backbone interact. energy: -0.638 local terms energy: -55.879092 where: bonds (distance) C4'-P energy: -8.776 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -14.459 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -11.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -81.923856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.923856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.923856 (E_RNA) where: Base-Base interactions energy: -29.742 where: short stacking energy: -29.742 Base-Backbone interact. energy: -0.082 local terms energy: -52.099294 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -6.012 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: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -64.883316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.883316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.883316 (E_RNA) where: Base-Base interactions energy: -19.957 where: short stacking energy: -13.611 Base-Backbone interact. energy: -0.832 local terms energy: -44.094380 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -13.533 flat angles C4'-P-C4' energy: -9.251 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -1.337 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: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -219.040968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.040968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.040968 (E_RNA) where: Base-Base interactions energy: -152.263 where: short stacking energy: -62.973 Base-Backbone interact. energy: -0.105 local terms energy: -66.672977 where: bonds (distance) C4'-P energy: -11.525 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -14.983 flat angles P-C4'-P energy: -9.652 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: 2, replica: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -215.668859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.668859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.668859 (E_RNA) where: Base-Base interactions energy: -147.482 where: short stacking energy: -65.882 Base-Backbone interact. energy: -0.008 local terms energy: -68.179685 where: bonds (distance) C4'-P energy: -12.876 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -19.914 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: 178 Temperature: 1.000000 Total energy: -213.676915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.676915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.676915 (E_RNA) where: Base-Base interactions energy: -145.990 where: short stacking energy: -63.205 Base-Backbone interact. energy: -0.695 local terms energy: -66.992480 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -10.731 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: 4, replica: 1 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -198.470900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.470900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.470900 (E_RNA) where: Base-Base interactions energy: -131.496 where: short stacking energy: -56.134 Base-Backbone interact. energy: -0.251 local terms energy: -66.724762 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -11.778 tors. eta vs tors. theta energy: -16.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -204.776171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.776171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.776171 (E_RNA) where: Base-Base interactions energy: -138.597 where: short stacking energy: -52.327 Base-Backbone interact. energy: -0.117 local terms energy: -66.061987 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -15.728 flat angles P-C4'-P energy: -8.771 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: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -206.984626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.984626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.984626 (E_RNA) where: Base-Base interactions energy: -136.444 where: short stacking energy: -56.886 Base-Backbone interact. energy: -0.048 local terms energy: -70.493037 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.603 flat angles P-C4'-P energy: -8.958 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: 7, replica: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -199.226899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.226899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.226899 (E_RNA) where: Base-Base interactions energy: -140.294 where: short stacking energy: -59.990 Base-Backbone interact. energy: -0.040 local terms energy: -58.892597 where: bonds (distance) C4'-P energy: -8.012 bonds (distance) P-C4' energy: -14.777 flat angles C4'-P-C4' energy: -11.066 flat angles P-C4'-P energy: -8.355 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: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -192.454647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.454647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.454647 (E_RNA) where: Base-Base interactions energy: -122.939 where: short stacking energy: -51.263 Base-Backbone interact. energy: -0.569 local terms energy: -68.946893 where: bonds (distance) C4'-P energy: -15.472 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -14.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -71.741244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.741244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.741244 (E_RNA) where: Base-Base interactions energy: -21.416 where: short stacking energy: -21.287 Base-Backbone interact. energy: -0.012 local terms energy: -50.313005 where: bonds (distance) C4'-P energy: -12.363 bonds (distance) P-C4' energy: -12.505 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -86.374661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.374661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.374661 (E_RNA) where: Base-Base interactions energy: -45.918 where: short stacking energy: -22.023 Base-Backbone interact. energy: -0.089 local terms energy: -40.367866 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: 2.323 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: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -223.547293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.547293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.547293 (E_RNA) where: Base-Base interactions energy: -145.342 where: short stacking energy: -66.580 Base-Backbone interact. energy: -0.081 local terms energy: -78.123865 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -14.777 flat angles P-C4'-P energy: -12.674 tors. eta vs tors. theta energy: -20.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -214.069618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.069618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.069618 (E_RNA) where: Base-Base interactions energy: -147.106 where: short stacking energy: -69.802 Base-Backbone interact. energy: -0.031 local terms energy: -66.931914 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -15.650 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -18.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -213.265301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.265301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.265301 (E_RNA) where: Base-Base interactions energy: -146.507 where: short stacking energy: -61.099 Base-Backbone interact. energy: -0.001 local terms energy: -66.757412 where: bonds (distance) C4'-P energy: -11.025 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -15.946 flat angles P-C4'-P energy: -10.504 tors. eta vs tors. theta energy: -16.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -200.118820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.118820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.118820 (E_RNA) where: Base-Base interactions energy: -134.965 where: short stacking energy: -64.999 Base-Backbone interact. energy: -0.883 local terms energy: -64.271064 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -7.111 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: 179 Temperature: 1.100000 Total energy: -202.352178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.352178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.352178 (E_RNA) where: Base-Base interactions energy: -142.834 where: short stacking energy: -60.786 Base-Backbone interact. energy: -0.180 local terms energy: -59.337828 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -8.445 flat angles C4'-P-C4' energy: -9.935 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -20.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -202.418240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.418240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.418240 (E_RNA) where: Base-Base interactions energy: -133.030 where: short stacking energy: -59.747 Base-Backbone interact. energy: -0.845 local terms energy: -68.543305 where: bonds (distance) C4'-P energy: -14.503 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -7.551 tors. eta vs tors. theta energy: -18.544 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: 3 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -192.832981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.832981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.832981 (E_RNA) where: Base-Base interactions energy: -134.920 where: short stacking energy: -55.791 Base-Backbone interact. energy: -0.176 local terms energy: -57.736730 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -11.614 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -9.029 tors. eta vs tors. theta energy: -12.385 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: 8, replica: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -192.062225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.062225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.062225 (E_RNA) where: Base-Base interactions energy: -127.485 where: short stacking energy: -54.120 Base-Backbone interact. energy: -0.082 local terms energy: -64.494833 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -17.359 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -16.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -73.694656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.694656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.694656 (E_RNA) where: Base-Base interactions energy: -27.993 where: short stacking energy: -17.582 Base-Backbone interact. energy: -0.181 local terms energy: -45.520924 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: 0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -75.176263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.176263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.176263 (E_RNA) where: Base-Base interactions energy: -27.870 where: short stacking energy: -25.940 Base-Backbone interact. energy: -0.029 local terms energy: -47.276508 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -223.559729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.559729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.559729 (E_RNA) where: Base-Base interactions energy: -153.629 where: short stacking energy: -71.089 Base-Backbone interact. energy: -0.083 local terms energy: -69.848567 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -10.900 tors. eta vs tors. theta energy: -19.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -220.348388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.348388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.348388 (E_RNA) where: Base-Base interactions energy: -153.219 where: short stacking energy: -62.481 Base-Backbone interact. energy: -0.392 local terms energy: -66.737523 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -15.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -209.640419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.640419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.640419 (E_RNA) where: Base-Base interactions energy: -145.545 where: short stacking energy: -56.862 Base-Backbone interact. energy: -0.573 local terms energy: -63.522402 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -12.961 flat angles P-C4'-P energy: -7.527 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: 4, replica: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -205.330952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.330952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.330952 (E_RNA) where: Base-Base interactions energy: -135.704 where: short stacking energy: -62.360 Base-Backbone interact. energy: -0.013 local terms energy: -69.613791 where: bonds (distance) C4'-P energy: -9.721 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -16.086 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -18.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -206.116629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.116629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.116629 (E_RNA) where: Base-Base interactions energy: -144.266 where: short stacking energy: -63.488 Base-Backbone interact. energy: -0.369 local terms energy: -61.481808 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -18.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -211.446076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.446076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.446076 (E_RNA) where: Base-Base interactions energy: -146.310 where: short stacking energy: -63.874 Base-Backbone interact. energy: 0.041 local terms energy: -65.177617 where: bonds (distance) C4'-P energy: -12.995 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -10.361 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: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -207.750256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.750256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.750256 (E_RNA) where: Base-Base interactions energy: -140.772 where: short stacking energy: -61.339 Base-Backbone interact. energy: -0.000 local terms energy: -66.978090 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -16.066 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -6.143 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: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -193.954904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.954904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.954904 (E_RNA) where: Base-Base interactions energy: -134.284 where: short stacking energy: -50.978 Base-Backbone interact. energy: -0.194 local terms energy: -59.477316 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -7.943 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -16.053 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: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -80.877316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.877316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.877316 (E_RNA) where: Base-Base interactions energy: -35.704 where: short stacking energy: -35.704 Base-Backbone interact. energy: -0.004 local terms energy: -45.168946 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -9.519 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -9.879 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: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -71.580332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.580332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.580332 (E_RNA) where: Base-Base interactions energy: -22.043 where: short stacking energy: -19.297 Base-Backbone interact. energy: -0.049 local terms energy: -49.488246 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -14.702 flat angles C4'-P-C4' energy: -8.999 flat angles P-C4'-P energy: -8.385 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -218.189554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.189554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.189554 (E_RNA) where: Base-Base interactions energy: -148.126 where: short stacking energy: -65.684 Base-Backbone interact. energy: -0.794 local terms energy: -69.269830 where: bonds (distance) C4'-P energy: -13.156 bonds (distance) P-C4' energy: -12.452 flat angles C4'-P-C4' energy: -15.516 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -17.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -216.279790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.279790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.279790 (E_RNA) where: Base-Base interactions energy: -148.016 where: short stacking energy: -63.927 Base-Backbone interact. energy: -0.212 local terms energy: -68.051989 where: bonds (distance) C4'-P energy: -15.124 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -8.947 tors. eta vs tors. theta energy: -20.521 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: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -222.678914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.678914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.678914 (E_RNA) where: Base-Base interactions energy: -154.278 where: short stacking energy: -71.042 Base-Backbone interact. energy: -0.000 local terms energy: -68.400311 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -20.679 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: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -208.384636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.384636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.384636 (E_RNA) where: Base-Base interactions energy: -145.681 where: short stacking energy: -67.557 Base-Backbone interact. energy: -0.001 local terms energy: -62.702540 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -16.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -205.020829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.020829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.020829 (E_RNA) where: Base-Base interactions energy: -135.809 where: short stacking energy: -63.221 Base-Backbone interact. energy: -0.615 local terms energy: -68.596817 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -8.021 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: 181 Temperature: 1.150000 Total energy: -200.592338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.592338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.592338 (E_RNA) where: Base-Base interactions energy: -138.523 where: short stacking energy: -58.533 Base-Backbone interact. energy: -0.023 local terms energy: -62.046544 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -10.711 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -11.148 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: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -191.977697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.977697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.977697 (E_RNA) where: Base-Base interactions energy: -137.785 where: short stacking energy: -58.904 Base-Backbone interact. energy: 0.132 local terms energy: -54.324073 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -9.092 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -15.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -195.739042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.739042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.739042 (E_RNA) where: Base-Base interactions energy: -134.377 where: short stacking energy: -55.167 Base-Backbone interact. energy: 0.978 local terms energy: -62.339961 where: bonds (distance) C4'-P energy: -13.054 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -11.090 tors. eta vs tors. theta energy: -12.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -89.841600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.841600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.841600 (E_RNA) where: Base-Base interactions energy: -42.020 where: short stacking energy: -32.491 Base-Backbone interact. energy: 1.478 local terms energy: -49.299688 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -1.222 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: 181 Temperature: 1.350000 Total energy: -68.578543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.578543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.578543 (E_RNA) where: Base-Base interactions energy: -29.581 where: short stacking energy: -25.770 Base-Backbone interact. energy: -0.099 local terms energy: -38.898061 where: bonds (distance) C4'-P energy: -4.732 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -225.086105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.086105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.086105 (E_RNA) where: Base-Base interactions energy: -150.689 where: short stacking energy: -69.228 Base-Backbone interact. energy: 1.056 local terms energy: -75.453574 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -15.778 flat angles P-C4'-P energy: -10.812 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: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -215.449089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.449089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.449089 (E_RNA) where: Base-Base interactions energy: -144.611 where: short stacking energy: -69.005 Base-Backbone interact. energy: -0.021 local terms energy: -70.816763 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -16.650 flat angles P-C4'-P energy: -8.805 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: 4 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -213.938364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.938364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.938364 (E_RNA) where: Base-Base interactions energy: -144.805 where: short stacking energy: -60.382 Base-Backbone interact. energy: -0.010 local terms energy: -69.123346 where: bonds (distance) C4'-P energy: -12.996 bonds (distance) P-C4' energy: -12.298 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -9.768 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: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -209.056249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.056249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.056249 (E_RNA) where: Base-Base interactions energy: -141.696 where: short stacking energy: -65.312 Base-Backbone interact. energy: 0.036 local terms energy: -67.396994 where: bonds (distance) C4'-P energy: -16.515 bonds (distance) P-C4' energy: -12.548 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -7.145 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: 5, replica: 1 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -198.218549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.218549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.218549 (E_RNA) where: Base-Base interactions energy: -133.259 where: short stacking energy: -60.337 Base-Backbone interact. energy: -0.054 local terms energy: -64.905277 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -16.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -194.931820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.931820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.931820 (E_RNA) where: Base-Base interactions energy: -128.541 where: short stacking energy: -54.206 Base-Backbone interact. energy: -0.168 local terms energy: -66.222739 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -10.157 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: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -216.850841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.850841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.850841 (E_RNA) where: Base-Base interactions energy: -146.216 where: short stacking energy: -61.278 Base-Backbone interact. energy: -0.034 local terms energy: -70.600704 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -10.998 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -11.672 tors. eta vs tors. theta energy: -19.537 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: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -179.021402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.021402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.021402 (E_RNA) where: Base-Base interactions energy: -116.653 where: short stacking energy: -49.152 Base-Backbone interact. energy: -0.147 local terms energy: -62.221074 where: bonds (distance) C4'-P energy: -11.129 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -8.363 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: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -71.027538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.027538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.027538 (E_RNA) where: Base-Base interactions energy: -30.131 where: short stacking energy: -30.131 Base-Backbone interact. energy: -0.034 local terms energy: -40.862863 where: bonds (distance) C4'-P energy: -11.521 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -9.219 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -2.789 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: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -77.743655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.743655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.743655 (E_RNA) where: Base-Base interactions energy: -44.625 where: short stacking energy: -29.729 Base-Backbone interact. energy: 0.446 local terms energy: -33.564471 where: bonds (distance) C4'-P energy: -5.045 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -4.368 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: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -220.612109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.612109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.612109 (E_RNA) where: Base-Base interactions energy: -149.460 where: short stacking energy: -64.747 Base-Backbone interact. energy: -0.006 local terms energy: -71.146307 where: bonds (distance) C4'-P energy: -12.623 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -10.811 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: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -228.086758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.086758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.086758 (E_RNA) where: Base-Base interactions energy: -152.997 where: short stacking energy: -66.376 Base-Backbone interact. energy: -2.313 local terms energy: -72.777096 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -10.129 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: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -218.883492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.883492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.883492 (E_RNA) where: Base-Base interactions energy: -144.864 where: short stacking energy: -66.962 Base-Backbone interact. energy: -0.643 local terms energy: -73.376689 where: bonds (distance) C4'-P energy: -14.515 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -12.165 tors. eta vs tors. theta energy: -20.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -205.812300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.812300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.812300 (E_RNA) where: Base-Base interactions energy: -139.553 where: short stacking energy: -64.881 Base-Backbone interact. energy: -0.446 local terms energy: -65.812698 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -10.767 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -8.549 tors. eta vs tors. theta energy: -16.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -198.263758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.263758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.263758 (E_RNA) where: Base-Base interactions energy: -139.698 where: short stacking energy: -63.683 Base-Backbone interact. energy: 1.749 local terms energy: -60.315090 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -7.630 flat angles C4'-P-C4' energy: -11.732 flat angles P-C4'-P energy: -9.158 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: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -199.005539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.005539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.005539 (E_RNA) where: Base-Base interactions energy: -140.337 where: short stacking energy: -61.020 Base-Backbone interact. energy: -0.036 local terms energy: -58.632323 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -7.393 flat angles C4'-P-C4' energy: -9.871 flat angles P-C4'-P energy: -11.245 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: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -195.613191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.613191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.613191 (E_RNA) where: Base-Base interactions energy: -136.867 where: short stacking energy: -56.910 Base-Backbone interact. energy: -0.029 local terms energy: -58.717072 where: bonds (distance) C4'-P energy: -11.030 bonds (distance) P-C4' energy: -10.752 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -10.906 tors. eta vs tors. theta energy: -17.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -189.200753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.200753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.200753 (E_RNA) where: Base-Base interactions energy: -136.325 where: short stacking energy: -61.564 Base-Backbone interact. energy: -0.003 local terms energy: -52.872308 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -8.092 flat angles C4'-P-C4' energy: -10.103 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -17.529 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: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -72.266704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.266704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.266704 (E_RNA) where: Base-Base interactions energy: -37.228 where: short stacking energy: -25.900 Base-Backbone interact. energy: 0.145 local terms energy: -35.183177 where: bonds (distance) C4'-P energy: -10.031 bonds (distance) P-C4' energy: -9.952 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -77.632787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.632787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.632787 (E_RNA) where: Base-Base interactions energy: -30.115 where: short stacking energy: -30.115 Base-Backbone interact. energy: -0.046 local terms energy: -47.471957 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -12.914 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -220.158570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.158570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.158570 (E_RNA) where: Base-Base interactions energy: -150.016 where: short stacking energy: -66.558 Base-Backbone interact. energy: -0.021 local terms energy: -70.121903 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -10.988 tors. eta vs tors. theta energy: -18.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -211.571548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.571548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.571548 (E_RNA) where: Base-Base interactions energy: -151.996 where: short stacking energy: -64.279 Base-Backbone interact. energy: -0.101 local terms energy: -59.474653 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -8.588 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -10.102 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: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -196.755162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.755162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.755162 (E_RNA) where: Base-Base interactions energy: -134.797 where: short stacking energy: -65.918 Base-Backbone interact. energy: -0.164 local terms energy: -61.794025 where: bonds (distance) C4'-P energy: -12.266 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -17.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -205.772534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.772534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.772534 (E_RNA) where: Base-Base interactions energy: -143.636 where: short stacking energy: -58.429 Base-Backbone interact. energy: -0.170 local terms energy: -61.966223 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -9.824 flat angles P-C4'-P energy: -10.420 tors. eta vs tors. theta energy: -14.230 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: 184 Temperature: 1.100000 Total energy: -209.903036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.903036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.903036 (E_RNA) where: Base-Base interactions energy: -143.005 where: short stacking energy: -63.553 Base-Backbone interact. energy: -0.046 local terms energy: -66.851956 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -10.940 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -8.015 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: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -203.014838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.014838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.014838 (E_RNA) where: Base-Base interactions energy: -137.459 where: short stacking energy: -60.771 Base-Backbone interact. energy: -0.025 local terms energy: -65.530094 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -8.220 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: 7, replica: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -202.295263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.295263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.295263 (E_RNA) where: Base-Base interactions energy: -147.827 where: short stacking energy: -53.113 Base-Backbone interact. energy: -0.015 local terms energy: -54.452775 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -9.882 flat angles P-C4'-P energy: -7.007 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: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -193.837028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.837028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.837028 (E_RNA) where: Base-Base interactions energy: -133.815 where: short stacking energy: -58.550 Base-Backbone interact. energy: -0.023 local terms energy: -59.999218 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -10.281 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -16.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -76.198417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.198417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.198417 (E_RNA) where: Base-Base interactions energy: -30.541 where: short stacking energy: -30.541 Base-Backbone interact. energy: -0.042 local terms energy: -45.615637 where: bonds (distance) C4'-P energy: -8.861 bonds (distance) P-C4' energy: -10.504 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -84.607241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.607241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.607241 (E_RNA) where: Base-Base interactions energy: -32.439 where: short stacking energy: -26.782 Base-Backbone interact. energy: -0.021 local terms energy: -52.147186 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -15.914 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -2.924 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: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -228.632559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.632559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.632559 (E_RNA) where: Base-Base interactions energy: -152.774 where: short stacking energy: -69.550 Base-Backbone interact. energy: -0.028 local terms energy: -75.830264 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -11.432 tors. eta vs tors. theta energy: -19.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -216.205147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.205147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.205147 (E_RNA) where: Base-Base interactions energy: -147.985 where: short stacking energy: -61.988 Base-Backbone interact. energy: -0.035 local terms energy: -68.185023 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -8.966 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: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -207.010621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.010621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.010621 (E_RNA) where: Base-Base interactions energy: -140.454 where: short stacking energy: -67.594 Base-Backbone interact. energy: -0.120 local terms energy: -66.436586 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -13.707 flat angles C4'-P-C4' energy: -16.326 flat angles P-C4'-P energy: -8.286 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: 4, replica: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -205.982384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.982384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.982384 (E_RNA) where: Base-Base interactions energy: -140.253 where: short stacking energy: -52.887 Base-Backbone interact. energy: -0.030 local terms energy: -65.699941 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -10.436 tors. eta vs tors. theta energy: -12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -207.336204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.336204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.336204 (E_RNA) where: Base-Base interactions energy: -142.140 where: short stacking energy: -65.660 Base-Backbone interact. energy: -0.006 local terms energy: -65.190667 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -8.242 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -9.513 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: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -212.313754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.313754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.313754 (E_RNA) where: Base-Base interactions energy: -141.661 where: short stacking energy: -58.512 Base-Backbone interact. energy: -0.474 local terms energy: -70.178207 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -11.391 tors. eta vs tors. theta energy: -15.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -187.235660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.235660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.235660 (E_RNA) where: Base-Base interactions energy: -133.677 where: short stacking energy: -50.998 Base-Backbone interact. energy: 0.673 local terms energy: -54.231940 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -7.607 flat angles C4'-P-C4' energy: -10.463 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -16.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -197.271003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.271003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.271003 (E_RNA) where: Base-Base interactions energy: -141.994 where: short stacking energy: -57.720 Base-Backbone interact. energy: -0.001 local terms energy: -55.276278 where: bonds (distance) C4'-P energy: -10.723 bonds (distance) P-C4' energy: -11.266 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -7.391 tors. eta vs tors. theta energy: -12.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -82.370448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.370448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.370448 (E_RNA) where: Base-Base interactions energy: -34.286 where: short stacking energy: -24.492 Base-Backbone interact. energy: -0.567 local terms energy: -47.517716 where: bonds (distance) C4'-P energy: -11.351 bonds (distance) P-C4' energy: -12.089 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -84.953922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.953922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.953922 (E_RNA) where: Base-Base interactions energy: -33.825 where: short stacking energy: -33.825 Base-Backbone interact. energy: -0.067 local terms energy: -51.062415 where: bonds (distance) C4'-P energy: -8.438 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -219.342083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.342083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.342083 (E_RNA) where: Base-Base interactions energy: -149.148 where: short stacking energy: -68.922 Base-Backbone interact. energy: -0.687 local terms energy: -69.507031 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -20.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -210.490015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.490015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.490015 (E_RNA) where: Base-Base interactions energy: -143.559 where: short stacking energy: -63.141 Base-Backbone interact. energy: 0.476 local terms energy: -67.406315 where: bonds (distance) C4'-P energy: -10.140 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -10.526 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: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -212.498466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.498466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.498466 (E_RNA) where: Base-Base interactions energy: -148.086 where: short stacking energy: -63.266 Base-Backbone interact. energy: -0.380 local terms energy: -64.032367 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -9.182 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -11.059 tors. eta vs tors. theta energy: -16.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -203.185675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.185675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.185675 (E_RNA) where: Base-Base interactions energy: -136.052 where: short stacking energy: -61.130 Base-Backbone interact. energy: -0.035 local terms energy: -67.099005 where: bonds (distance) C4'-P energy: -9.657 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -15.030 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -19.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -209.610053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.610053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.610053 (E_RNA) where: Base-Base interactions energy: -139.782 where: short stacking energy: -61.993 Base-Backbone interact. energy: -0.038 local terms energy: -69.789946 where: bonds (distance) C4'-P energy: -15.511 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -16.064 flat angles P-C4'-P energy: -8.309 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: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -198.006973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.006973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.006973 (E_RNA) where: Base-Base interactions energy: -132.142 where: short stacking energy: -50.316 Base-Backbone interact. energy: -0.230 local terms energy: -65.635764 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -11.830 flat angles P-C4'-P energy: -10.731 tors. eta vs tors. theta energy: -13.505 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: 7, replica: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -193.535722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.535722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.535722 (E_RNA) where: Base-Base interactions energy: -135.123 where: short stacking energy: -59.055 Base-Backbone interact. energy: -0.041 local terms energy: -58.372362 where: bonds (distance) C4'-P energy: -10.590 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -9.731 flat angles P-C4'-P energy: -9.596 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: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -194.278211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.278211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.278211 (E_RNA) where: Base-Base interactions energy: -130.654 where: short stacking energy: -50.754 Base-Backbone interact. energy: -0.189 local terms energy: -63.435230 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -12.206 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -10.114 tors. eta vs tors. theta energy: -12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -73.747956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.747956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.747956 (E_RNA) where: Base-Base interactions energy: -28.850 where: short stacking energy: -26.815 Base-Backbone interact. energy: 0.731 local terms energy: -45.628990 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -67.726163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.726163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.726163 (E_RNA) where: Base-Base interactions energy: -28.026 where: short stacking energy: -20.510 Base-Backbone interact. energy: 0.157 local terms energy: -39.857343 where: bonds (distance) C4'-P energy: -9.406 bonds (distance) P-C4' energy: -8.201 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -9.109 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: 4 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -220.806767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.806767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.806767 (E_RNA) where: Base-Base interactions energy: -148.291 where: short stacking energy: -66.395 Base-Backbone interact. energy: -0.009 local terms energy: -72.506544 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -13.868 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -11.571 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: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -219.947211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.947211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.947211 (E_RNA) where: Base-Base interactions energy: -152.724 where: short stacking energy: -68.795 Base-Backbone interact. energy: -0.135 local terms energy: -67.088294 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -6.437 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: 3, replica: 10 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -212.200347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.200347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.200347 (E_RNA) where: Base-Base interactions energy: -148.174 where: short stacking energy: -59.964 Base-Backbone interact. energy: -0.011 local terms energy: -64.015361 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -10.723 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: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -210.582915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.582915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.582915 (E_RNA) where: Base-Base interactions energy: -140.496 where: short stacking energy: -61.521 Base-Backbone interact. energy: -0.006 local terms energy: -70.081289 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -17.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -202.928455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.928455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.928455 (E_RNA) where: Base-Base interactions energy: -137.040 where: short stacking energy: -66.702 Base-Backbone interact. energy: -0.041 local terms energy: -65.847095 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -15.874 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -17.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -192.570299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.570299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.570299 (E_RNA) where: Base-Base interactions energy: -134.379 where: short stacking energy: -53.013 Base-Backbone interact. energy: -0.091 local terms energy: -58.099865 where: bonds (distance) C4'-P energy: -11.378 bonds (distance) P-C4' energy: -11.003 flat angles C4'-P-C4' energy: -11.480 flat angles P-C4'-P energy: -7.659 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: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -182.350575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.350575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.350575 (E_RNA) where: Base-Base interactions energy: -129.423 where: short stacking energy: -48.485 Base-Backbone interact. energy: -0.476 local terms energy: -52.451837 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -7.488 tors. eta vs tors. theta energy: -8.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -190.659346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.659346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.659346 (E_RNA) where: Base-Base interactions energy: -127.876 where: short stacking energy: -46.517 Base-Backbone interact. energy: -0.159 local terms energy: -62.624833 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -12.309 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -11.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -142.892830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.892830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.892830 (E_RNA) where: Base-Base interactions energy: -93.904 where: short stacking energy: -38.380 Base-Backbone interact. energy: -0.049 local terms energy: -48.940123 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -77.895090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.895090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.895090 (E_RNA) where: Base-Base interactions energy: -31.015 where: short stacking energy: -26.333 Base-Backbone interact. energy: -0.276 local terms energy: -46.604625 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -1.051 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: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -223.791328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.791328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.791328 (E_RNA) where: Base-Base interactions energy: -150.794 where: short stacking energy: -66.722 Base-Backbone interact. energy: -0.801 local terms energy: -72.196766 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -17.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -214.852706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.852706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.852706 (E_RNA) where: Base-Base interactions energy: -147.682 where: short stacking energy: -64.981 Base-Backbone interact. energy: -0.010 local terms energy: -67.160478 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -20.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -214.646556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.646556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.646556 (E_RNA) where: Base-Base interactions energy: -146.973 where: short stacking energy: -64.303 Base-Backbone interact. energy: -0.156 local terms energy: -67.516992 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -7.907 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: 4, replica: 10 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -203.148549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.148549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.148549 (E_RNA) where: Base-Base interactions energy: -139.564 where: short stacking energy: -54.589 Base-Backbone interact. energy: -0.620 local terms energy: -62.965142 where: bonds (distance) C4'-P energy: -10.147 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -9.503 tors. eta vs tors. theta energy: -13.098 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: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -209.845847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.845847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.845847 (E_RNA) where: Base-Base interactions energy: -146.979 where: short stacking energy: -63.261 Base-Backbone interact. energy: -0.035 local terms energy: -62.832033 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -6.968 flat angles C4'-P-C4' energy: -10.429 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -18.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -197.365156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.365156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.365156 (E_RNA) where: Base-Base interactions energy: -132.185 where: short stacking energy: -58.496 Base-Backbone interact. energy: -0.024 local terms energy: -65.156239 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -14.884 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -15.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -195.689134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.689134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.689134 (E_RNA) where: Base-Base interactions energy: -132.727 where: short stacking energy: -60.208 Base-Backbone interact. energy: -0.187 local terms energy: -62.774993 where: bonds (distance) C4'-P energy: -15.844 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -12.072 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -15.229 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: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -198.071320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.071320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.071320 (E_RNA) where: Base-Base interactions energy: -144.798 where: short stacking energy: -55.102 Base-Backbone interact. energy: -0.839 local terms energy: -52.434177 where: bonds (distance) C4'-P energy: -11.326 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -159.602647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.602647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.602647 (E_RNA) where: Base-Base interactions energy: -105.998 where: short stacking energy: -40.029 Base-Backbone interact. energy: -0.039 local terms energy: -53.565145 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -9.670 flat angles P-C4'-P energy: -11.139 tors. eta vs tors. theta energy: -7.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -70.014157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.014157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.014157 (E_RNA) where: Base-Base interactions energy: -31.019 where: short stacking energy: -26.623 Base-Backbone interact. energy: -0.258 local terms energy: -38.736856 where: bonds (distance) C4'-P energy: -8.014 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -0.884 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -224.422817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.422817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.422817 (E_RNA) where: Base-Base interactions energy: -151.790 where: short stacking energy: -67.557 Base-Backbone interact. energy: -0.222 local terms energy: -72.411370 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -8.704 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -13.729 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: 2, replica: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -217.550676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.550676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.550676 (E_RNA) where: Base-Base interactions energy: -147.066 where: short stacking energy: -62.126 Base-Backbone interact. energy: -0.111 local terms energy: -70.374057 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -10.569 tors. eta vs tors. theta energy: -19.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -217.166256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.166256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.166256 (E_RNA) where: Base-Base interactions energy: -146.462 where: short stacking energy: -64.587 Base-Backbone interact. energy: -0.090 local terms energy: -70.614148 where: bonds (distance) C4'-P energy: -14.387 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -214.727388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.727388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.727388 (E_RNA) where: Base-Base interactions energy: -143.484 where: short stacking energy: -59.678 Base-Backbone interact. energy: -0.442 local terms energy: -70.801258 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -17.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -201.706270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.706270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.706270 (E_RNA) where: Base-Base interactions energy: -134.138 where: short stacking energy: -61.172 Base-Backbone interact. energy: -0.124 local terms energy: -67.444686 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -12.523 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: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -192.087989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.087989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.087989 (E_RNA) where: Base-Base interactions energy: -132.444 where: short stacking energy: -53.720 Base-Backbone interact. energy: -0.667 local terms energy: -58.976674 where: bonds (distance) C4'-P energy: -11.494 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -13.194 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: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -193.294608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.294608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.294608 (E_RNA) where: Base-Base interactions energy: -129.910 where: short stacking energy: -58.803 Base-Backbone interact. energy: -0.043 local terms energy: -63.342021 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -12.071 flat angles P-C4'-P energy: -5.328 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: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -184.028641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.028641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.028641 (E_RNA) where: Base-Base interactions energy: -125.372 where: short stacking energy: -51.742 Base-Backbone interact. energy: -0.028 local terms energy: -58.628916 where: bonds (distance) C4'-P energy: -15.405 bonds (distance) P-C4' energy: -10.875 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -13.449 tors. eta vs tors. theta energy: -11.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -158.695861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.695861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.695861 (E_RNA) where: Base-Base interactions energy: -104.711 where: short stacking energy: -46.151 Base-Backbone interact. energy: -0.107 local terms energy: -53.878118 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -11.974 flat angles C4'-P-C4' energy: -10.420 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -10.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -70.911451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.911451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.911451 (E_RNA) where: Base-Base interactions energy: -30.634 where: short stacking energy: -23.801 Base-Backbone interact. energy: -0.138 local terms energy: -40.138560 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -8.693 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -3.296 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: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -224.548478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.548478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.548478 (E_RNA) where: Base-Base interactions energy: -148.285 where: short stacking energy: -67.180 Base-Backbone interact. energy: -1.673 local terms energy: -74.590274 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -10.992 tors. eta vs tors. theta energy: -20.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -228.387783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.387783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.387783 (E_RNA) where: Base-Base interactions energy: -153.118 where: short stacking energy: -69.397 Base-Backbone interact. energy: -0.755 local terms energy: -74.514507 where: bonds (distance) C4'-P energy: -16.345 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -17.604 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: 190 Temperature: 1.000000 Total energy: -218.493389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.493389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.493389 (E_RNA) where: Base-Base interactions energy: -150.827 where: short stacking energy: -63.009 Base-Backbone interact. energy: -0.348 local terms energy: -67.318189 where: bonds (distance) C4'-P energy: -9.945 bonds (distance) P-C4' energy: -16.579 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -17.374 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: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -212.812804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.812804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.812804 (E_RNA) where: Base-Base interactions energy: -148.218 where: short stacking energy: -65.115 Base-Backbone interact. energy: -0.040 local terms energy: -64.555365 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -10.291 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -7.533 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: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -208.074343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.074343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.074343 (E_RNA) where: Base-Base interactions energy: -146.272 where: short stacking energy: -63.282 Base-Backbone interact. energy: -0.025 local terms energy: -61.777884 where: bonds (distance) C4'-P energy: -9.659 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -8.998 tors. eta vs tors. theta energy: -18.845 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: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -204.505841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.505841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.505841 (E_RNA) where: Base-Base interactions energy: -139.575 where: short stacking energy: -62.094 Base-Backbone interact. energy: -0.036 local terms energy: -64.894626 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -9.983 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: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -195.949437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.949437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.949437 (E_RNA) where: Base-Base interactions energy: -139.226 where: short stacking energy: -57.860 Base-Backbone interact. energy: -0.649 local terms energy: -56.074421 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.821 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -10.617 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: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -185.967862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.967862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.967862 (E_RNA) where: Base-Base interactions energy: -123.953 where: short stacking energy: -56.132 Base-Backbone interact. energy: -1.312 local terms energy: -60.702814 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -11.209 flat angles C4'-P-C4' energy: -15.568 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -16.935 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: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -191.384094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.384094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.384094 (E_RNA) where: Base-Base interactions energy: -130.035 where: short stacking energy: -52.674 Base-Backbone interact. energy: -0.001 local terms energy: -61.347765 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -18.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -87.531784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.531784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.531784 (E_RNA) where: Base-Base interactions energy: -36.280 where: short stacking energy: -36.280 Base-Backbone interact. energy: -0.033 local terms energy: -51.218556 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -4.217 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: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -227.967459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.967459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.967459 (E_RNA) where: Base-Base interactions energy: -154.177 where: short stacking energy: -73.134 Base-Backbone interact. energy: -2.245 local terms energy: -71.546056 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -13.347 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -19.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -218.381996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.381996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.381996 (E_RNA) where: Base-Base interactions energy: -147.450 where: short stacking energy: -61.480 Base-Backbone interact. energy: -1.055 local terms energy: -69.876703 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -10.335 flat angles C4'-P-C4' energy: -15.806 flat angles P-C4'-P energy: -12.821 tors. eta vs tors. theta energy: -16.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -211.632402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.632402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.632402 (E_RNA) where: Base-Base interactions energy: -141.956 where: short stacking energy: -52.134 Base-Backbone interact. energy: 0.033 local terms energy: -69.708477 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -17.601 flat angles P-C4'-P energy: -7.556 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: 4, replica: 10 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -211.989343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.989343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.989343 (E_RNA) where: Base-Base interactions energy: -147.060 where: short stacking energy: -64.540 Base-Backbone interact. energy: -0.306 local terms energy: -64.623200 where: bonds (distance) C4'-P energy: -7.768 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -9.107 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: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -209.317960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.317960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.317960 (E_RNA) where: Base-Base interactions energy: -136.096 where: short stacking energy: -61.218 Base-Backbone interact. energy: -0.001 local terms energy: -73.221339 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -10.849 flat angles P-C4'-P energy: -12.717 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: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -207.821259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.821259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.821259 (E_RNA) where: Base-Base interactions energy: -144.068 where: short stacking energy: -59.624 Base-Backbone interact. energy: -0.291 local terms energy: -63.462732 where: bonds (distance) C4'-P energy: -8.909 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -8.279 tors. eta vs tors. theta energy: -17.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -194.632629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.632629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.632629 (E_RNA) where: Base-Base interactions energy: -139.747 where: short stacking energy: -51.571 Base-Backbone interact. energy: -0.089 local terms energy: -54.796216 where: bonds (distance) C4'-P energy: -9.315 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -11.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -185.749699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.749699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.749699 (E_RNA) where: Base-Base interactions energy: -126.873 where: short stacking energy: -62.608 Base-Backbone interact. energy: -0.008 local terms energy: -58.868966 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -14.854 flat angles P-C4'-P energy: -8.274 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: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -176.853935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.853935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.853935 (E_RNA) where: Base-Base interactions energy: -118.163 where: short stacking energy: -54.819 Base-Backbone interact. energy: -0.025 local terms energy: -58.665395 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -15.172 flat angles P-C4'-P energy: -5.722 tors. eta vs tors. theta energy: -12.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -68.377237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.377237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.377237 (E_RNA) where: Base-Base interactions energy: -20.320 where: short stacking energy: -20.320 Base-Backbone interact. energy: -0.208 local terms energy: -47.848908 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -221.576698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.576698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.576698 (E_RNA) where: Base-Base interactions energy: -150.083 where: short stacking energy: -65.797 Base-Backbone interact. energy: -0.005 local terms energy: -71.488210 where: bonds (distance) C4'-P energy: -16.817 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -11.857 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -20.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -221.420969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.420969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.420969 (E_RNA) where: Base-Base interactions energy: -147.415 where: short stacking energy: -71.560 Base-Backbone interact. energy: -0.007 local terms energy: -73.998796 where: bonds (distance) C4'-P energy: -15.077 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -21.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -217.071595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.071595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.071595 (E_RNA) where: Base-Base interactions energy: -143.552 where: short stacking energy: -55.523 Base-Backbone interact. energy: -0.091 local terms energy: -73.428379 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -11.642 flat angles P-C4'-P energy: -11.588 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: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -210.045610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.045610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.045610 (E_RNA) where: Base-Base interactions energy: -142.236 where: short stacking energy: -66.318 Base-Backbone interact. energy: 0.613 local terms energy: -68.423010 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -15.909 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -10.937 tors. eta vs tors. theta energy: -16.977 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: 192 Temperature: 1.100000 Total energy: -208.764964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.764964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.764964 (E_RNA) where: Base-Base interactions energy: -143.117 where: short stacking energy: -62.650 Base-Backbone interact. energy: -0.002 local terms energy: -65.646186 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -10.717 flat angles P-C4'-P energy: -9.565 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: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -192.920128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.920128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.920128 (E_RNA) where: Base-Base interactions energy: -132.182 where: short stacking energy: -52.366 Base-Backbone interact. energy: -0.130 local terms energy: -60.608442 where: bonds (distance) C4'-P energy: -13.394 bonds (distance) P-C4' energy: -13.330 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -6.826 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: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -198.373296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.373296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.373296 (E_RNA) where: Base-Base interactions energy: -135.420 where: short stacking energy: -53.263 Base-Backbone interact. energy: -0.006 local terms energy: -62.946456 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -12.148 flat angles P-C4'-P energy: -7.781 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: 8, replica: 1 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -144.838984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.838984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.838984 (E_RNA) where: Base-Base interactions energy: -87.286 where: short stacking energy: -50.003 Base-Backbone interact. energy: -0.039 local terms energy: -57.514552 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -9.212 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: 9, replica: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -159.875603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.875603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.875603 (E_RNA) where: Base-Base interactions energy: -101.000 where: short stacking energy: -46.954 Base-Backbone interact. energy: -0.392 local terms energy: -58.483212 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -14.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -74.929660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.929660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.929660 (E_RNA) where: Base-Base interactions energy: -34.001 where: short stacking energy: -23.000 Base-Backbone interact. energy: -0.781 local terms energy: -40.148365 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -7.918 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -7.270 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -224.890582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.890582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.890582 (E_RNA) where: Base-Base interactions energy: -152.574 where: short stacking energy: -68.427 Base-Backbone interact. energy: -0.321 local terms energy: -71.995322 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -20.157 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: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -214.122317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.122317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.122317 (E_RNA) where: Base-Base interactions energy: -142.442 where: short stacking energy: -67.232 Base-Backbone interact. energy: -0.369 local terms energy: -71.312118 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -15.226 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -17.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -217.066786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.066786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.066786 (E_RNA) where: Base-Base interactions energy: -148.916 where: short stacking energy: -68.546 Base-Backbone interact. energy: -0.005 local terms energy: -68.145604 where: bonds (distance) C4'-P energy: -8.072 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -16.815 flat angles P-C4'-P energy: -7.634 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: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -215.886310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.886310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.886310 (E_RNA) where: Base-Base interactions energy: -145.518 where: short stacking energy: -64.897 Base-Backbone interact. energy: -0.395 local terms energy: -69.973069 where: bonds (distance) C4'-P energy: -12.117 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -16.080 flat angles P-C4'-P energy: -9.912 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: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -206.301188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.301188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.301188 (E_RNA) where: Base-Base interactions energy: -141.280 where: short stacking energy: -61.200 Base-Backbone interact. energy: -0.158 local terms energy: -64.862548 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -12.005 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -7.902 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: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -199.084731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.084731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.084731 (E_RNA) where: Base-Base interactions energy: -137.592 where: short stacking energy: -57.080 Base-Backbone interact. energy: 0.214 local terms energy: -61.707208 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -8.556 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -11.132 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: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -200.466068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.466068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.466068 (E_RNA) where: Base-Base interactions energy: -137.420 where: short stacking energy: -60.578 Base-Backbone interact. energy: -0.106 local terms energy: -62.939616 where: bonds (distance) C4'-P energy: -10.470 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -7.102 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: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -196.784407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.784407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.784407 (E_RNA) where: Base-Base interactions energy: -135.992 where: short stacking energy: -56.738 Base-Backbone interact. energy: 3.457 local terms energy: -64.249429 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -10.809 tors. eta vs tors. theta energy: -15.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -110.156473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.156473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.156473 (E_RNA) where: Base-Base interactions energy: -68.160 where: short stacking energy: -32.456 Base-Backbone interact. energy: -0.184 local terms energy: -41.812262 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -9.497 flat angles C4'-P-C4' energy: -10.641 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -66.684089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.684089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.684089 (E_RNA) where: Base-Base interactions energy: -22.444 where: short stacking energy: -22.440 Base-Backbone interact. energy: -0.170 local terms energy: -44.070513 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -10.687 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: 1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -224.433216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.433216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.433216 (E_RNA) where: Base-Base interactions energy: -147.789 where: short stacking energy: -67.768 Base-Backbone interact. energy: -0.108 local terms energy: -76.537145 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -13.055 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -12.331 tors. eta vs tors. theta energy: -21.408 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: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -215.063199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.063199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.063199 (E_RNA) where: Base-Base interactions energy: -148.015 where: short stacking energy: -62.557 Base-Backbone interact. energy: -1.487 local terms energy: -65.561685 where: bonds (distance) C4'-P energy: -11.393 bonds (distance) P-C4' energy: -10.915 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -12.358 tors. eta vs tors. theta energy: -17.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -222.789828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.789828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.789828 (E_RNA) where: Base-Base interactions energy: -147.833 where: short stacking energy: -61.303 Base-Backbone interact. energy: -0.024 local terms energy: -74.932312 where: bonds (distance) C4'-P energy: -13.899 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -15.290 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -18.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -209.023994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.023994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.023994 (E_RNA) where: Base-Base interactions energy: -141.007 where: short stacking energy: -63.832 Base-Backbone interact. energy: -0.161 local terms energy: -67.855888 where: bonds (distance) C4'-P energy: -14.310 bonds (distance) P-C4' energy: -12.543 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -18.726 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: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -209.749309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.749309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.749309 (E_RNA) where: Base-Base interactions energy: -144.981 where: short stacking energy: -65.223 Base-Backbone interact. energy: -0.018 local terms energy: -64.750428 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -10.717 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: 6, replica: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -204.619460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.619460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.619460 (E_RNA) where: Base-Base interactions energy: -137.676 where: short stacking energy: -55.647 Base-Backbone interact. energy: -0.009 local terms energy: -66.935199 where: bonds (distance) C4'-P energy: -13.796 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -16.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -199.816487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.816487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.816487 (E_RNA) where: Base-Base interactions energy: -144.395 where: short stacking energy: -53.791 Base-Backbone interact. energy: -0.154 local terms energy: -55.267421 where: bonds (distance) C4'-P energy: -8.761 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -10.813 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -11.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -197.010479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.010479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.010479 (E_RNA) where: Base-Base interactions energy: -134.237 where: short stacking energy: -50.840 Base-Backbone interact. energy: -0.814 local terms energy: -61.960225 where: bonds (distance) C4'-P energy: -16.167 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -13.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -67.572922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.572922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.572922 (E_RNA) where: Base-Base interactions energy: -24.729 where: short stacking energy: -24.506 Base-Backbone interact. energy: -0.033 local terms energy: -42.810424 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -75.673235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.673235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.673235 (E_RNA) where: Base-Base interactions energy: -29.626 where: short stacking energy: -27.689 Base-Backbone interact. energy: -1.223 local terms energy: -44.824311 where: bonds (distance) C4'-P energy: -10.519 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -9.273 flat angles P-C4'-P energy: -7.969 tors. eta vs tors. theta energy: -5.518 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: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -221.216150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.216150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.216150 (E_RNA) where: Base-Base interactions energy: -148.235 where: short stacking energy: -64.975 Base-Backbone interact. energy: -0.175 local terms energy: -72.806147 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -12.691 tors. eta vs tors. theta energy: -19.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -221.721836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.721836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.721836 (E_RNA) where: Base-Base interactions energy: -145.897 where: short stacking energy: -65.758 Base-Backbone interact. energy: -0.211 local terms energy: -75.614354 where: bonds (distance) C4'-P energy: -14.829 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -15.817 flat angles P-C4'-P energy: -13.020 tors. eta vs tors. theta energy: -16.432 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: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -209.727866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.727866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.727866 (E_RNA) where: Base-Base interactions energy: -142.948 where: short stacking energy: -62.488 Base-Backbone interact. energy: -0.635 local terms energy: -66.144964 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -11.978 flat angles C4'-P-C4' energy: -10.790 flat angles P-C4'-P energy: -12.514 tors. eta vs tors. theta energy: -16.753 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: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -208.876627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.876627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.876627 (E_RNA) where: Base-Base interactions energy: -139.543 where: short stacking energy: -59.173 Base-Backbone interact. energy: -0.035 local terms energy: -69.298636 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -18.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -199.088391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.088391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.088391 (E_RNA) where: Base-Base interactions energy: -130.407 where: short stacking energy: -52.447 Base-Backbone interact. energy: -0.043 local terms energy: -68.638015 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -10.604 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: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -204.945345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.945345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.945345 (E_RNA) where: Base-Base interactions energy: -138.370 where: short stacking energy: -63.059 Base-Backbone interact. energy: -0.012 local terms energy: -66.562762 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -16.184 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -17.596 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: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -201.807684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.807684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.807684 (E_RNA) where: Base-Base interactions energy: -138.655 where: short stacking energy: -56.830 Base-Backbone interact. energy: -0.006 local terms energy: -63.146342 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -10.727 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -15.549 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: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -194.140690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.140690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.140690 (E_RNA) where: Base-Base interactions energy: -137.291 where: short stacking energy: -59.178 Base-Backbone interact. energy: 2.791 local terms energy: -59.640609 where: bonds (distance) C4'-P energy: -12.210 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -14.088 flat angles P-C4'-P energy: -6.135 tors. eta vs tors. theta energy: -15.399 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: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -81.037890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.037890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.037890 (E_RNA) where: Base-Base interactions energy: -31.694 where: short stacking energy: -31.694 Base-Backbone interact. energy: -0.063 local terms energy: -49.281490 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -9.444 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -78.723758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.723758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.723758 (E_RNA) where: Base-Base interactions energy: -35.712 where: short stacking energy: -30.223 Base-Backbone interact. energy: -0.094 local terms energy: -42.917573 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -12.312 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -4.985 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: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -219.485636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.485636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.485636 (E_RNA) where: Base-Base interactions energy: -150.913 where: short stacking energy: -69.414 Base-Backbone interact. energy: 0.390 local terms energy: -68.961983 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -10.431 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -10.809 tors. eta vs tors. theta energy: -20.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -215.587060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.587060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.587060 (E_RNA) where: Base-Base interactions energy: -146.977 where: short stacking energy: -66.614 Base-Backbone interact. energy: -0.239 local terms energy: -68.371074 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -13.721 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -11.744 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: 3, replica: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -206.233096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.233096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.233096 (E_RNA) where: Base-Base interactions energy: -141.359 where: short stacking energy: -59.335 Base-Backbone interact. energy: -0.081 local terms energy: -64.792774 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -15.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -214.494280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.494280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.494280 (E_RNA) where: Base-Base interactions energy: -143.836 where: short stacking energy: -62.765 Base-Backbone interact. energy: -0.111 local terms energy: -70.547777 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -12.139 tors. eta vs tors. theta energy: -18.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -210.608979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.608979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.608979 (E_RNA) where: Base-Base interactions energy: -143.943 where: short stacking energy: -62.602 Base-Backbone interact. energy: -0.001 local terms energy: -66.664937 where: bonds (distance) C4'-P energy: -8.995 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -11.467 tors. eta vs tors. theta energy: -17.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -204.413497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.413497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.413497 (E_RNA) where: Base-Base interactions energy: -140.066 where: short stacking energy: -62.792 Base-Backbone interact. energy: -0.004 local terms energy: -64.343431 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -9.690 flat angles C4'-P-C4' energy: -10.827 flat angles P-C4'-P energy: -10.928 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: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -190.934842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.934842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.934842 (E_RNA) where: Base-Base interactions energy: -133.957 where: short stacking energy: -51.418 Base-Backbone interact. energy: -0.129 local terms energy: -56.848523 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -9.578 flat angles P-C4'-P energy: -12.067 tors. eta vs tors. theta energy: -9.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -192.820861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.820861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.820861 (E_RNA) where: Base-Base interactions energy: -133.053 where: short stacking energy: -55.209 Base-Backbone interact. energy: -0.673 local terms energy: -59.095048 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -12.090 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -13.095 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: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -80.217471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.217471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.217471 (E_RNA) where: Base-Base interactions energy: -42.036 where: short stacking energy: -27.074 Base-Backbone interact. energy: -0.452 local terms energy: -37.729325 where: bonds (distance) C4'-P energy: -9.502 bonds (distance) P-C4' energy: -12.001 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -8.887 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: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -67.272257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.272257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.272257 (E_RNA) where: Base-Base interactions energy: -26.822 where: short stacking energy: -24.533 Base-Backbone interact. energy: -0.246 local terms energy: -40.204583 where: bonds (distance) C4'-P energy: -9.023 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -10.737 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -2.709 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: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -228.750134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.750134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.750134 (E_RNA) where: Base-Base interactions energy: -160.345 where: short stacking energy: -72.457 Base-Backbone interact. energy: 1.666 local terms energy: -70.070545 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -10.658 flat angles P-C4'-P energy: -8.734 tors. eta vs tors. theta energy: -20.944 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: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -214.719676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.719676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.719676 (E_RNA) where: Base-Base interactions energy: -142.969 where: short stacking energy: -56.629 Base-Backbone interact. energy: -1.168 local terms energy: -70.582367 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -10.773 tors. eta vs tors. theta energy: -15.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -210.043821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.043821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.043821 (E_RNA) where: Base-Base interactions energy: -138.211 where: short stacking energy: -62.461 Base-Backbone interact. energy: -0.080 local terms energy: -71.752780 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -20.050 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: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -217.551405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.551405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.551405 (E_RNA) where: Base-Base interactions energy: -149.629 where: short stacking energy: -66.880 Base-Backbone interact. energy: -0.696 local terms energy: -67.226480 where: bonds (distance) C4'-P energy: -11.335 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -18.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -200.890427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.890427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.890427 (E_RNA) where: Base-Base interactions energy: -136.441 where: short stacking energy: -56.770 Base-Backbone interact. energy: -0.099 local terms energy: -64.350350 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -11.279 flat angles C4'-P-C4' energy: -14.960 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -15.861 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: 197 Temperature: 1.150000 Total energy: -191.101791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.101791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.101791 (E_RNA) where: Base-Base interactions energy: -130.808 where: short stacking energy: -53.008 Base-Backbone interact. energy: -0.189 local terms energy: -60.105229 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -12.139 tors. eta vs tors. theta energy: -11.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -193.180998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.180998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.180998 (E_RNA) where: Base-Base interactions energy: -129.838 where: short stacking energy: -47.861 Base-Backbone interact. energy: -0.079 local terms energy: -63.264189 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -14.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -191.752666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.752666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.752666 (E_RNA) where: Base-Base interactions energy: -130.514 where: short stacking energy: -52.695 Base-Backbone interact. energy: -0.002 local terms energy: -61.236378 where: bonds (distance) C4'-P energy: -14.383 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -10.643 flat angles P-C4'-P energy: -9.659 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: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -72.065745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.065745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.065745 (E_RNA) where: Base-Base interactions energy: -26.214 where: short stacking energy: -26.214 Base-Backbone interact. energy: -0.162 local terms energy: -45.689683 where: bonds (distance) C4'-P energy: -10.599 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -11.905 flat angles P-C4'-P energy: -8.711 tors. eta vs tors. theta energy: 0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -72.686665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.686665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.686665 (E_RNA) where: Base-Base interactions energy: -26.107 where: short stacking energy: -21.389 Base-Backbone interact. energy: -0.214 local terms energy: -46.365165 where: bonds (distance) C4'-P energy: -10.101 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -211.825830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.825830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.825830 (E_RNA) where: Base-Base interactions energy: -147.303 where: short stacking energy: -59.644 Base-Backbone interact. energy: -0.340 local terms energy: -64.182575 where: bonds (distance) C4'-P energy: -8.938 bonds (distance) P-C4' energy: -10.241 flat angles C4'-P-C4' energy: -16.393 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -17.781 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: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -214.607771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.607771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.607771 (E_RNA) where: Base-Base interactions energy: -144.068 where: short stacking energy: -60.603 Base-Backbone interact. energy: -0.039 local terms energy: -70.500716 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -21.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -222.532874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.532874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.532874 (E_RNA) where: Base-Base interactions energy: -152.623 where: short stacking energy: -66.369 Base-Backbone interact. energy: -0.478 local terms energy: -69.432422 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -16.342 flat angles P-C4'-P energy: -7.736 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: 4, replica: 5 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -205.876029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.876029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.876029 (E_RNA) where: Base-Base interactions energy: -134.576 where: short stacking energy: -54.579 Base-Backbone interact. energy: -0.640 local terms energy: -70.660174 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -16.384 flat angles P-C4'-P energy: -9.719 tors. eta vs tors. theta energy: -16.676 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: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -202.832675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.832675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.832675 (E_RNA) where: Base-Base interactions energy: -139.472 where: short stacking energy: -57.792 Base-Backbone interact. energy: 0.815 local terms energy: -64.176544 where: bonds (distance) C4'-P energy: -15.384 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -14.708 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -14.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -196.328809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.328809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.328809 (E_RNA) where: Base-Base interactions energy: -134.215 where: short stacking energy: -53.915 Base-Backbone interact. energy: -0.206 local terms energy: -61.908412 where: bonds (distance) C4'-P energy: -9.629 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -11.369 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: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -209.025372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.025372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.025372 (E_RNA) where: Base-Base interactions energy: -143.212 where: short stacking energy: -62.924 Base-Backbone interact. energy: -0.046 local terms energy: -65.768225 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -14.561 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -194.513325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.513325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.513325 (E_RNA) where: Base-Base interactions energy: -130.051 where: short stacking energy: -56.084 Base-Backbone interact. energy: -0.035 local terms energy: -64.427836 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -11.915 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -12.615 tors. eta vs tors. theta energy: -14.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -78.836601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.836601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.836601 (E_RNA) where: Base-Base interactions energy: -30.992 where: short stacking energy: -30.179 Base-Backbone interact. energy: -0.029 local terms energy: -47.815185 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -11.589 flat angles C4'-P-C4' energy: -15.462 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -78.439248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.439248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.439248 (E_RNA) where: Base-Base interactions energy: -32.200 where: short stacking energy: -32.200 Base-Backbone interact. energy: 0.593 local terms energy: -46.831895 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -3.001 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: 9 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -218.589672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.589672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.589672 (E_RNA) where: Base-Base interactions energy: -148.336 where: short stacking energy: -62.091 Base-Backbone interact. energy: -2.212 local terms energy: -68.041562 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -8.670 flat angles C4'-P-C4' energy: -16.721 flat angles P-C4'-P energy: -11.267 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: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -218.909102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.909102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.909102 (E_RNA) where: Base-Base interactions energy: -147.102 where: short stacking energy: -67.260 Base-Backbone interact. energy: -0.006 local terms energy: -71.801200 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -16.768 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -20.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -214.886951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.886951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.886951 (E_RNA) where: Base-Base interactions energy: -145.292 where: short stacking energy: -63.492 Base-Backbone interact. energy: -0.602 local terms energy: -68.993326 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -206.458717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.458717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.458717 (E_RNA) where: Base-Base interactions energy: -137.412 where: short stacking energy: -59.673 Base-Backbone interact. energy: -1.800 local terms energy: -67.246771 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -8.862 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: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -208.390605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.390605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.390605 (E_RNA) where: Base-Base interactions energy: -144.346 where: short stacking energy: -62.603 Base-Backbone interact. energy: -0.002 local terms energy: -64.042275 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -6.987 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: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -205.585916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.585916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.585916 (E_RNA) where: Base-Base interactions energy: -143.996 where: short stacking energy: -62.222 Base-Backbone interact. energy: -0.122 local terms energy: -61.467216 where: bonds (distance) C4'-P energy: -10.545 bonds (distance) P-C4' energy: -11.140 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -7.944 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: 7, replica: 7 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -205.226234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.226234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.226234 (E_RNA) where: Base-Base interactions energy: -139.173 where: short stacking energy: -58.771 Base-Backbone interact. energy: -0.001 local terms energy: -66.051522 where: bonds (distance) C4'-P energy: -15.271 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -9.642 flat angles P-C4'-P energy: -8.169 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: 8, replica: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -195.136235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.136235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.136235 (E_RNA) where: Base-Base interactions energy: -143.554 where: short stacking energy: -57.569 Base-Backbone interact. energy: -0.208 local terms energy: -51.374464 where: bonds (distance) C4'-P energy: -8.517 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -69.216778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.216778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.216778 (E_RNA) where: Base-Base interactions energy: -23.586 where: short stacking energy: -23.248 Base-Backbone interact. energy: 0.292 local terms energy: -45.922699 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -14.052 flat angles C4'-P-C4' energy: -10.779 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -2.532 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: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -68.747195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.747195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.747195 (E_RNA) where: Base-Base interactions energy: -20.431 where: short stacking energy: -20.431 Base-Backbone interact. energy: -0.201 local terms energy: -48.115278 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -11.650 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -10.275 tors. eta vs tors. theta energy: -1.485 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: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -225.509301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.509301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.509301 (E_RNA) where: Base-Base interactions energy: -153.544 where: short stacking energy: -68.176 Base-Backbone interact. energy: -0.007 local terms energy: -71.958278 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -12.527 tors. eta vs tors. theta energy: -21.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -220.910459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.910459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.910459 (E_RNA) where: Base-Base interactions energy: -150.628 where: short stacking energy: -65.056 Base-Backbone interact. energy: -0.010 local terms energy: -70.272437 where: bonds (distance) C4'-P energy: -10.622 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -16.368 flat angles P-C4'-P energy: -11.938 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: 3, replica: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -213.829115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.829115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.829115 (E_RNA) where: Base-Base interactions energy: -144.078 where: short stacking energy: -64.189 Base-Backbone interact. energy: -0.008 local terms energy: -69.742595 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -12.418 flat angles P-C4'-P energy: -9.105 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: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -212.538269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.538269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.538269 (E_RNA) where: Base-Base interactions energy: -140.706 where: short stacking energy: -60.692 Base-Backbone interact. energy: -0.635 local terms energy: -71.197436 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -11.020 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: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -209.099363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.099363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.099363 (E_RNA) where: Base-Base interactions energy: -141.512 where: short stacking energy: -68.790 Base-Backbone interact. energy: -0.816 local terms energy: -66.771456 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -17.037 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: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -201.741250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.741250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.741250 (E_RNA) where: Base-Base interactions energy: -141.606 where: short stacking energy: -53.092 Base-Backbone interact. energy: -0.403 local terms energy: -59.732427 where: bonds (distance) C4'-P energy: -14.615 bonds (distance) P-C4' energy: -10.066 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -174.411469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.411469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.411469 (E_RNA) where: Base-Base interactions energy: -116.300 where: short stacking energy: -53.128 Base-Backbone interact. energy: -0.399 local terms energy: -57.711982 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -13.632 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -13.217 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: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -201.747245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.747245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.747245 (E_RNA) where: Base-Base interactions energy: -132.844 where: short stacking energy: -56.513 Base-Backbone interact. energy: -0.060 local terms energy: -68.843766 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -15.580 flat angles P-C4'-P energy: -10.640 tors. eta vs tors. theta energy: -14.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -83.652852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.652852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.652852 (E_RNA) where: Base-Base interactions energy: -31.594 where: short stacking energy: -22.650 Base-Backbone interact. energy: -0.088 local terms energy: -51.971481 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -5.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -77.145308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.145308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.145308 (E_RNA) where: Base-Base interactions energy: -30.470 where: short stacking energy: -27.287 Base-Backbone interact. energy: 0.582 local terms energy: -47.257466 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -227.612060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.612060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.612060 (E_RNA) where: Base-Base interactions energy: -156.572 where: short stacking energy: -71.440 Base-Backbone interact. energy: -1.134 local terms energy: -69.906646 where: bonds (distance) C4'-P energy: -13.356 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -12.360 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -18.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -221.576589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.576589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.576589 (E_RNA) where: Base-Base interactions energy: -147.226 where: short stacking energy: -64.316 Base-Backbone interact. energy: -0.538 local terms energy: -73.812013 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -14.631 flat angles P-C4'-P energy: -8.838 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: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -209.844877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.844877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.844877 (E_RNA) where: Base-Base interactions energy: -139.542 where: short stacking energy: -58.915 Base-Backbone interact. energy: -0.012 local terms energy: -70.291072 where: bonds (distance) C4'-P energy: -15.174 bonds (distance) P-C4' energy: -13.424 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -11.093 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: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -194.700195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.700195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.700195 (E_RNA) where: Base-Base interactions energy: -126.392 where: short stacking energy: -51.862 Base-Backbone interact. energy: 0.009 local terms energy: -68.316873 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -13.961 tors. eta vs tors. theta energy: -14.362 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: 201 Temperature: 1.100000 Total energy: -201.233095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.233095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.233095 (E_RNA) where: Base-Base interactions energy: -141.662 where: short stacking energy: -64.015 Base-Backbone interact. energy: -0.123 local terms energy: -59.447989 where: bonds (distance) C4'-P energy: -8.382 bonds (distance) P-C4' energy: -15.181 flat angles C4'-P-C4' energy: -11.245 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -14.183 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: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -204.765680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.765680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.765680 (E_RNA) where: Base-Base interactions energy: -141.821 where: short stacking energy: -61.340 Base-Backbone interact. energy: -0.616 local terms energy: -62.329187 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -15.310 flat angles P-C4'-P energy: -8.556 tors. eta vs tors. theta energy: -16.511 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: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -161.808267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.808267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.808267 (E_RNA) where: Base-Base interactions energy: -100.308 where: short stacking energy: -49.887 Base-Backbone interact. energy: -0.176 local terms energy: -61.324562 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -11.153 tors. eta vs tors. theta energy: -11.759 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: 201 Temperature: 1.250000 Total energy: -196.148844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.148844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.148844 (E_RNA) where: Base-Base interactions energy: -138.811 where: short stacking energy: -55.007 Base-Backbone interact. energy: -0.021 local terms energy: -57.316581 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -8.465 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -12.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -74.556301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.556301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.556301 (E_RNA) where: Base-Base interactions energy: -22.991 where: short stacking energy: -22.991 Base-Backbone interact. energy: -0.068 local terms energy: -51.497445 where: bonds (distance) C4'-P energy: -10.487 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -5.667 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: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -70.326261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.326261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.326261 (E_RNA) where: Base-Base interactions energy: -22.001 where: short stacking energy: -20.139 Base-Backbone interact. energy: -0.215 local terms energy: -48.111148 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -225.061095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.061095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.061095 (E_RNA) where: Base-Base interactions energy: -152.453 where: short stacking energy: -65.772 Base-Backbone interact. energy: -0.009 local terms energy: -72.599652 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -15.842 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -9.607 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: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -221.318599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.318599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.318599 (E_RNA) where: Base-Base interactions energy: -151.877 where: short stacking energy: -61.819 Base-Backbone interact. energy: -0.036 local terms energy: -69.405546 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -9.918 tors. eta vs tors. theta energy: -15.359 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: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -210.189174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.189174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.189174 (E_RNA) where: Base-Base interactions energy: -141.770 where: short stacking energy: -65.328 Base-Backbone interact. energy: -0.252 local terms energy: -68.166919 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -7.899 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: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -211.582718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.582718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.582718 (E_RNA) where: Base-Base interactions energy: -143.559 where: short stacking energy: -60.634 Base-Backbone interact. energy: -0.001 local terms energy: -68.022760 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -13.133 flat angles C4'-P-C4' energy: -12.061 flat angles P-C4'-P energy: -11.733 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: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -209.616942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.616942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.616942 (E_RNA) where: Base-Base interactions energy: -139.709 where: short stacking energy: -59.540 Base-Backbone interact. energy: -0.021 local terms energy: -69.887134 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -16.573 flat angles P-C4'-P energy: -8.837 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: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -208.196001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.196001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.196001 (E_RNA) where: Base-Base interactions energy: -144.338 where: short stacking energy: -64.785 Base-Backbone interact. energy: -0.017 local terms energy: -63.841217 where: bonds (distance) C4'-P energy: -5.979 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -5.233 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: 7, replica: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -202.987350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.987350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.987350 (E_RNA) where: Base-Base interactions energy: -140.330 where: short stacking energy: -61.163 Base-Backbone interact. energy: -0.174 local terms energy: -62.483921 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -10.375 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -17.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -200.474801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.474801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.474801 (E_RNA) where: Base-Base interactions energy: -134.969 where: short stacking energy: -59.360 Base-Backbone interact. energy: -0.005 local terms energy: -65.500713 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -12.643 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -10.166 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: 9, replica: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -76.218090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.218090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.218090 (E_RNA) where: Base-Base interactions energy: -33.621 where: short stacking energy: -23.052 Base-Backbone interact. energy: -0.153 local terms energy: -42.444574 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -9.431 flat angles P-C4'-P energy: -3.816 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: 10, replica: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -71.768929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.768929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.768929 (E_RNA) where: Base-Base interactions energy: -24.132 where: short stacking energy: -18.301 Base-Backbone interact. energy: -0.606 local terms energy: -47.030817 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -224.907448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.907448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.907448 (E_RNA) where: Base-Base interactions energy: -148.075 where: short stacking energy: -67.921 Base-Backbone interact. energy: -0.004 local terms energy: -76.828700 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -13.026 tors. eta vs tors. theta energy: -18.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -220.838095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.838095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.838095 (E_RNA) where: Base-Base interactions energy: -149.568 where: short stacking energy: -69.307 Base-Backbone interact. energy: 0.387 local terms energy: -71.657077 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -12.611 flat angles P-C4'-P energy: -11.206 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: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -217.007382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.007382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.007382 (E_RNA) where: Base-Base interactions energy: -146.198 where: short stacking energy: -69.119 Base-Backbone interact. energy: -1.799 local terms energy: -69.010495 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -13.330 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -20.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -215.920487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.920487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.920487 (E_RNA) where: Base-Base interactions energy: -148.488 where: short stacking energy: -65.166 Base-Backbone interact. energy: -0.012 local terms energy: -67.420484 where: bonds (distance) C4'-P energy: -12.606 bonds (distance) P-C4' energy: -11.724 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -11.081 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: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -209.131582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.131582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.131582 (E_RNA) where: Base-Base interactions energy: -138.438 where: short stacking energy: -64.675 Base-Backbone interact. energy: -0.062 local terms energy: -70.631802 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -15.477 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -17.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -202.953807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.953807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.953807 (E_RNA) where: Base-Base interactions energy: -141.718 where: short stacking energy: -60.073 Base-Backbone interact. energy: -0.056 local terms energy: -61.179799 where: bonds (distance) C4'-P energy: -4.000 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -11.369 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: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -193.750535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.750535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.750535 (E_RNA) where: Base-Base interactions energy: -133.801 where: short stacking energy: -58.044 Base-Backbone interact. energy: -0.082 local terms energy: -59.867716 where: bonds (distance) C4'-P energy: -12.388 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -10.889 flat angles P-C4'-P energy: -8.090 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: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -77.719079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.719079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.719079 (E_RNA) where: Base-Base interactions energy: -32.236 where: short stacking energy: -28.147 Base-Backbone interact. energy: -0.055 local terms energy: -45.429016 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -11.174 flat angles P-C4'-P energy: -7.527 tors. eta vs tors. theta energy: -1.762 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: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -195.170339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.170339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.170339 (E_RNA) where: Base-Base interactions energy: -138.450 where: short stacking energy: -49.704 Base-Backbone interact. energy: -0.013 local terms energy: -56.707924 where: bonds (distance) C4'-P energy: -10.404 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -12.753 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: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -74.124377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.124377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.124377 (E_RNA) where: Base-Base interactions energy: -29.550 where: short stacking energy: -26.203 Base-Backbone interact. energy: -0.296 local terms energy: -44.277803 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -222.065075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.065075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.065075 (E_RNA) where: Base-Base interactions energy: -148.395 where: short stacking energy: -65.104 Base-Backbone interact. energy: -0.021 local terms energy: -73.648430 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -12.087 tors. eta vs tors. theta energy: -21.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -217.750508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.750508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.750508 (E_RNA) where: Base-Base interactions energy: -145.559 where: short stacking energy: -61.672 Base-Backbone interact. energy: -0.000 local terms energy: -72.191742 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -12.769 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -214.938569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.938569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.938569 (E_RNA) where: Base-Base interactions energy: -143.763 where: short stacking energy: -60.536 Base-Backbone interact. energy: -0.018 local terms energy: -71.157468 where: bonds (distance) C4'-P energy: -12.730 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -17.372 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: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -215.795284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.795284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.795284 (E_RNA) where: Base-Base interactions energy: -144.770 where: short stacking energy: -55.887 Base-Backbone interact. energy: -0.001 local terms energy: -71.023611 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -15.965 flat angles P-C4'-P energy: -10.130 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: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -206.840529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.840529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.840529 (E_RNA) where: Base-Base interactions energy: -139.124 where: short stacking energy: -61.973 Base-Backbone interact. energy: -0.002 local terms energy: -67.715195 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -14.178 flat angles P-C4'-P energy: -8.272 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: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -205.283648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.283648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.283648 (E_RNA) where: Base-Base interactions energy: -143.667 where: short stacking energy: -61.864 Base-Backbone interact. energy: -0.035 local terms energy: -61.581738 where: bonds (distance) C4'-P energy: -8.033 bonds (distance) P-C4' energy: -14.053 flat angles C4'-P-C4' energy: -13.000 flat angles P-C4'-P energy: -6.680 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: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -204.023159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.023159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.023159 (E_RNA) where: Base-Base interactions energy: -144.729 where: short stacking energy: -61.249 Base-Backbone interact. energy: -0.005 local terms energy: -59.289061 where: bonds (distance) C4'-P energy: -12.661 bonds (distance) P-C4' energy: -9.402 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -8.771 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: 8, replica: 8 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -81.139233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.139233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.139233 (E_RNA) where: Base-Base interactions energy: -28.087 where: short stacking energy: -28.087 Base-Backbone interact. energy: -0.425 local terms energy: -52.627198 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -12.668 flat angles C4'-P-C4' energy: -11.988 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -3.685 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: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -186.990263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.990263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.990263 (E_RNA) where: Base-Base interactions energy: -125.841 where: short stacking energy: -47.803 Base-Backbone interact. energy: -0.011 local terms energy: -61.137856 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -6.110 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: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -72.369532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.369532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.369532 (E_RNA) where: Base-Base interactions energy: -28.027 where: short stacking energy: -24.882 Base-Backbone interact. energy: -0.075 local terms energy: -44.267610 where: bonds (distance) C4'-P energy: -11.494 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -11.946 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -223.284428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.284428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.284428 (E_RNA) where: Base-Base interactions energy: -151.107 where: short stacking energy: -69.361 Base-Backbone interact. energy: -0.353 local terms energy: -71.823698 where: bonds (distance) C4'-P energy: -11.580 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -15.190 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -19.483 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: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -218.619990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.619990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.619990 (E_RNA) where: Base-Base interactions energy: -152.693 where: short stacking energy: -65.214 Base-Backbone interact. energy: -0.130 local terms energy: -65.797825 where: bonds (distance) C4'-P energy: -14.713 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -11.693 tors. eta vs tors. theta energy: -16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -208.532525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.532525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.532525 (E_RNA) where: Base-Base interactions energy: -137.440 where: short stacking energy: -58.367 Base-Backbone interact. energy: 0.158 local terms energy: -71.250605 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -16.003 flat angles C4'-P-C4' energy: -13.475 flat angles P-C4'-P energy: -9.002 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: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -212.697690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.697690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.697690 (E_RNA) where: Base-Base interactions energy: -140.709 where: short stacking energy: -61.835 Base-Backbone interact. energy: -0.332 local terms energy: -71.656442 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -10.732 tors. eta vs tors. theta energy: -17.899 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: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -205.523657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.523657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.523657 (E_RNA) where: Base-Base interactions energy: -138.569 where: short stacking energy: -56.692 Base-Backbone interact. energy: -0.291 local terms energy: -66.664082 where: bonds (distance) C4'-P energy: -9.357 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -16.288 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -16.488 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: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -194.638047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.638047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.638047 (E_RNA) where: Base-Base interactions energy: -136.713 where: short stacking energy: -56.288 Base-Backbone interact. energy: -0.303 local terms energy: -57.622023 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -13.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -203.731671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.731671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.731671 (E_RNA) where: Base-Base interactions energy: -141.544 where: short stacking energy: -58.065 Base-Backbone interact. energy: -0.164 local terms energy: -62.023178 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -15.069 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -13.854 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: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -199.870137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.870137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.870137 (E_RNA) where: Base-Base interactions energy: -140.610 where: short stacking energy: -63.910 Base-Backbone interact. energy: -0.003 local terms energy: -59.256673 where: bonds (distance) C4'-P energy: -10.710 bonds (distance) P-C4' energy: -12.714 flat angles C4'-P-C4' energy: -11.359 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -16.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -85.666053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.666053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.666053 (E_RNA) where: Base-Base interactions energy: -44.377 where: short stacking energy: -32.618 Base-Backbone interact. energy: -0.126 local terms energy: -41.163099 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: 0.297 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: 205 Temperature: 1.350000 Total energy: -75.143743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.143743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.143743 (E_RNA) where: Base-Base interactions energy: -35.424 where: short stacking energy: -30.664 Base-Backbone interact. energy: -0.019 local terms energy: -39.700205 where: bonds (distance) C4'-P energy: -15.472 bonds (distance) P-C4' energy: -10.884 flat angles C4'-P-C4' energy: -9.263 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -0.150 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: 206 Temperature: 0.900000 Total energy: -221.269753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.269753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.269753 (E_RNA) where: Base-Base interactions energy: -143.823 where: short stacking energy: -67.814 Base-Backbone interact. energy: -0.425 local terms energy: -77.021026 where: bonds (distance) C4'-P energy: -16.005 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -16.170 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -19.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -220.610375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.610375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.610375 (E_RNA) where: Base-Base interactions energy: -149.651 where: short stacking energy: -62.968 Base-Backbone interact. energy: -0.841 local terms energy: -70.118400 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -16.182 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -16.398 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: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -216.782594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.782594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.782594 (E_RNA) where: Base-Base interactions energy: -144.516 where: short stacking energy: -68.489 Base-Backbone interact. energy: -0.576 local terms energy: -71.690231 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -12.298 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -20.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -210.116360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.116360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.116360 (E_RNA) where: Base-Base interactions energy: -141.691 where: short stacking energy: -53.736 Base-Backbone interact. energy: -0.469 local terms energy: -67.956209 where: bonds (distance) C4'-P energy: -12.470 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -14.122 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -19.277 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: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -212.961508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.961508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.961508 (E_RNA) where: Base-Base interactions energy: -146.128 where: short stacking energy: -65.105 Base-Backbone interact. energy: -0.095 local terms energy: -66.738739 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -15.282 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -12.166 tors. eta vs tors. theta energy: -17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -200.389282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.389282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.389282 (E_RNA) where: Base-Base interactions energy: -139.628 where: short stacking energy: -61.061 Base-Backbone interact. energy: 0.233 local terms energy: -60.994965 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -12.148 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -18.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -204.296143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.296143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.296143 (E_RNA) where: Base-Base interactions energy: -139.823 where: short stacking energy: -59.017 Base-Backbone interact. energy: -0.419 local terms energy: -64.054726 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -11.549 flat angles C4'-P-C4' energy: -13.992 flat angles P-C4'-P energy: -10.397 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: 8, replica: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -190.454695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.454695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.454695 (E_RNA) where: Base-Base interactions energy: -127.837 where: short stacking energy: -54.654 Base-Backbone interact. energy: -0.915 local terms energy: -61.703074 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -12.086 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: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -67.719687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.719687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.719687 (E_RNA) where: Base-Base interactions energy: -22.819 where: short stacking energy: -22.819 Base-Backbone interact. energy: -0.275 local terms energy: -44.625734 where: bonds (distance) C4'-P energy: -14.860 bonds (distance) P-C4' energy: -10.743 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -2.040 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -68.254722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.254722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.254722 (E_RNA) where: Base-Base interactions energy: -23.260 where: short stacking energy: -23.260 Base-Backbone interact. energy: -0.122 local terms energy: -44.872353 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -10.932 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -0.993 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: 9 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -223.290869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.290869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.290869 (E_RNA) where: Base-Base interactions energy: -149.169 where: short stacking energy: -68.604 Base-Backbone interact. energy: -0.002 local terms energy: -74.119992 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -16.275 flat angles P-C4'-P energy: -7.819 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: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -218.971608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.971608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.971608 (E_RNA) where: Base-Base interactions energy: -154.628 where: short stacking energy: -68.762 Base-Backbone interact. energy: -0.002 local terms energy: -64.341235 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -11.251 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -10.622 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: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -214.082512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.082512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.082512 (E_RNA) where: Base-Base interactions energy: -142.739 where: short stacking energy: -59.428 Base-Backbone interact. energy: -0.099 local terms energy: -71.244400 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -16.875 flat angles P-C4'-P energy: -13.109 tors. eta vs tors. theta energy: -15.702 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: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -210.298933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.298933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.298933 (E_RNA) where: Base-Base interactions energy: -145.732 where: short stacking energy: -61.051 Base-Backbone interact. energy: -0.003 local terms energy: -64.564189 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -13.735 flat angles C4'-P-C4' energy: -15.285 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -15.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -201.435717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.435717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.435717 (E_RNA) where: Base-Base interactions energy: -136.084 where: short stacking energy: -58.983 Base-Backbone interact. energy: -0.022 local terms energy: -65.330067 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -14.108 flat angles C4'-P-C4' energy: -13.990 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -14.963 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: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -195.862701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.862701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.862701 (E_RNA) where: Base-Base interactions energy: -135.545 where: short stacking energy: -52.249 Base-Backbone interact. energy: -0.424 local terms energy: -59.894226 where: bonds (distance) C4'-P energy: -10.613 bonds (distance) P-C4' energy: -13.107 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -10.058 tors. eta vs tors. theta energy: -11.459 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: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -189.409953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.409953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.409953 (E_RNA) where: Base-Base interactions energy: -128.177 where: short stacking energy: -50.104 Base-Backbone interact. energy: -0.163 local terms energy: -61.069224 where: bonds (distance) C4'-P energy: -10.669 bonds (distance) P-C4' energy: -12.854 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -8.398 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: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -192.387003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.387003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.387003 (E_RNA) where: Base-Base interactions energy: -140.894 where: short stacking energy: -55.733 Base-Backbone interact. energy: -0.248 local terms energy: -51.245014 where: bonds (distance) C4'-P energy: -10.383 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -9.712 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -14.339 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: 207 Temperature: 1.300000 Total energy: -71.960883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.960883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.960883 (E_RNA) where: Base-Base interactions energy: -27.748 where: short stacking energy: -26.388 Base-Backbone interact. energy: -0.253 local terms energy: -43.959914 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -2.523 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: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -78.435366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.435366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.435366 (E_RNA) where: Base-Base interactions energy: -30.721 where: short stacking energy: -30.721 Base-Backbone interact. energy: -0.503 local terms energy: -47.211296 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -11.317 flat angles C4'-P-C4' energy: -10.061 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -219.546209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.546209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.546209 (E_RNA) where: Base-Base interactions energy: -146.733 where: short stacking energy: -70.417 Base-Backbone interact. energy: 0.351 local terms energy: -73.164827 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -8.768 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: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -216.933171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.933171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.933171 (E_RNA) where: Base-Base interactions energy: -149.283 where: short stacking energy: -62.730 Base-Backbone interact. energy: -0.013 local terms energy: -67.636998 where: bonds (distance) C4'-P energy: -12.226 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -18.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -216.904139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.904139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.904139 (E_RNA) where: Base-Base interactions energy: -145.869 where: short stacking energy: -61.126 Base-Backbone interact. energy: -0.123 local terms energy: -70.912183 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -10.949 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: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -219.468911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.468911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.468911 (E_RNA) where: Base-Base interactions energy: -149.096 where: short stacking energy: -69.212 Base-Backbone interact. energy: -0.477 local terms energy: -69.896298 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -15.136 flat angles P-C4'-P energy: -8.373 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: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -194.890370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.890370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.890370 (E_RNA) where: Base-Base interactions energy: -134.785 where: short stacking energy: -57.722 Base-Backbone interact. energy: -0.151 local terms energy: -59.954968 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -10.125 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: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -198.142147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.142147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.142147 (E_RNA) where: Base-Base interactions energy: -140.060 where: short stacking energy: -54.486 Base-Backbone interact. energy: -0.106 local terms energy: -57.975670 where: bonds (distance) C4'-P energy: -15.385 bonds (distance) P-C4' energy: -10.617 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -15.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -198.433348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.433348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.433348 (E_RNA) where: Base-Base interactions energy: -138.115 where: short stacking energy: -53.873 Base-Backbone interact. energy: -0.607 local terms energy: -59.711559 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -12.427 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: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -189.184144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.184144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.184144 (E_RNA) where: Base-Base interactions energy: -133.195 where: short stacking energy: -48.732 Base-Backbone interact. energy: 1.051 local terms energy: -57.040820 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -10.392 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -12.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -81.681816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.681816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.681816 (E_RNA) where: Base-Base interactions energy: -31.931 where: short stacking energy: -31.931 Base-Backbone interact. energy: -0.104 local terms energy: -49.645933 where: bonds (distance) C4'-P energy: -7.448 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -10.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -64.250879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.250879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.250879 (E_RNA) where: Base-Base interactions energy: -24.567 where: short stacking energy: -24.567 Base-Backbone interact. energy: -0.050 local terms energy: -39.633862 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -10.696 flat angles C4'-P-C4' energy: -11.467 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -5.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -222.708576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.708576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.708576 (E_RNA) where: Base-Base interactions energy: -153.678 where: short stacking energy: -68.680 Base-Backbone interact. energy: -0.232 local terms energy: -68.798442 where: bonds (distance) C4'-P energy: -12.466 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.870 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -19.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -215.042838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.042838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.042838 (E_RNA) where: Base-Base interactions energy: -149.165 where: short stacking energy: -67.297 Base-Backbone interact. energy: -0.088 local terms energy: -65.789969 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -11.615 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: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -220.428554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.428554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.428554 (E_RNA) where: Base-Base interactions energy: -153.181 where: short stacking energy: -70.365 Base-Backbone interact. energy: -0.001 local terms energy: -67.246404 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: -17.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -210.195005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.195005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.195005 (E_RNA) where: Base-Base interactions energy: -145.222 where: short stacking energy: -65.020 Base-Backbone interact. energy: -0.267 local terms energy: -64.706734 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -12.441 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -9.788 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: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -204.606828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.606828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.606828 (E_RNA) where: Base-Base interactions energy: -142.556 where: short stacking energy: -63.895 Base-Backbone interact. energy: -0.610 local terms energy: -61.440353 where: bonds (distance) C4'-P energy: -8.072 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -14.302 flat angles P-C4'-P energy: -9.943 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: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -195.774271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.774271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.774271 (E_RNA) where: Base-Base interactions energy: -130.347 where: short stacking energy: -55.809 Base-Backbone interact. energy: -0.073 local terms energy: -65.354569 where: bonds (distance) C4'-P energy: -10.947 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -15.918 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: 7, replica: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -198.893337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.893337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.893337 (E_RNA) where: Base-Base interactions energy: -130.143 where: short stacking energy: -58.183 Base-Backbone interact. energy: -0.002 local terms energy: -68.747954 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -10.782 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -18.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -196.694393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.694393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.694393 (E_RNA) where: Base-Base interactions energy: -133.168 where: short stacking energy: -52.498 Base-Backbone interact. energy: -0.165 local terms energy: -63.361048 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -14.680 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -7.628 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: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -91.936250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.936250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.936250 (E_RNA) where: Base-Base interactions energy: -42.242 where: short stacking energy: -22.831 Base-Backbone interact. energy: -0.237 local terms energy: -49.457007 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -16.578 flat angles P-C4'-P energy: -6.715 tors. eta vs tors. theta energy: -1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -77.826563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.826563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.826563 (E_RNA) where: Base-Base interactions energy: -30.756 where: short stacking energy: -30.756 Base-Backbone interact. energy: -0.069 local terms energy: -47.001339 where: bonds (distance) C4'-P energy: -9.460 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -10.726 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -220.144524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.144524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.144524 (E_RNA) where: Base-Base interactions energy: -152.646 where: short stacking energy: -69.420 Base-Backbone interact. energy: -0.076 local terms energy: -67.422640 where: bonds (distance) C4'-P energy: -9.832 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -11.240 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: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -216.174727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.174727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.174727 (E_RNA) where: Base-Base interactions energy: -144.992 where: short stacking energy: -61.238 Base-Backbone interact. energy: -0.523 local terms energy: -70.659709 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -15.084 flat angles P-C4'-P energy: -11.013 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: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -215.620124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.620124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.620124 (E_RNA) where: Base-Base interactions energy: -144.625 where: short stacking energy: -64.517 Base-Backbone interact. energy: -0.547 local terms energy: -70.448375 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -17.126 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -18.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -211.508392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.508392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.508392 (E_RNA) where: Base-Base interactions energy: -145.052 where: short stacking energy: -64.114 Base-Backbone interact. energy: -0.001 local terms energy: -66.455560 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -14.662 flat angles C4'-P-C4' energy: -10.811 flat angles P-C4'-P energy: -9.488 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: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -198.067312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.067312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.067312 (E_RNA) where: Base-Base interactions energy: -135.132 where: short stacking energy: -61.293 Base-Backbone interact. energy: -0.127 local terms energy: -62.808417 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -12.484 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -17.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -205.387078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.387078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.387078 (E_RNA) where: Base-Base interactions energy: -145.564 where: short stacking energy: -63.244 Base-Backbone interact. energy: -0.046 local terms energy: -59.777074 where: bonds (distance) C4'-P energy: -10.793 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -9.636 tors. eta vs tors. theta energy: -15.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -201.444351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.444351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.444351 (E_RNA) where: Base-Base interactions energy: -141.945 where: short stacking energy: -52.269 Base-Backbone interact. energy: -0.088 local terms energy: -59.410704 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -11.879 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: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -166.224141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.224141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.224141 (E_RNA) where: Base-Base interactions energy: -116.902 where: short stacking energy: -51.939 Base-Backbone interact. energy: -1.221 local terms energy: -48.100764 where: bonds (distance) C4'-P energy: -12.404 bonds (distance) P-C4' energy: -11.915 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -10.173 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: 210 Temperature: 1.300000 Total energy: -78.483428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.483428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.483428 (E_RNA) where: Base-Base interactions energy: -38.107 where: short stacking energy: -33.540 Base-Backbone interact. energy: -0.031 local terms energy: -40.345807 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -78.311575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.311575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.311575 (E_RNA) where: Base-Base interactions energy: -23.946 where: short stacking energy: -21.623 Base-Backbone interact. energy: -0.059 local terms energy: -54.306994 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -217.815030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.815030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.815030 (E_RNA) where: Base-Base interactions energy: -148.481 where: short stacking energy: -66.251 Base-Backbone interact. energy: -0.136 local terms energy: -69.197890 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -17.104 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -20.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -222.165703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.165703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.165703 (E_RNA) where: Base-Base interactions energy: -153.987 where: short stacking energy: -65.998 Base-Backbone interact. energy: -0.064 local terms energy: -68.114351 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -18.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -211.768868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.768868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.768868 (E_RNA) where: Base-Base interactions energy: -144.494 where: short stacking energy: -56.989 Base-Backbone interact. energy: -0.018 local terms energy: -67.257332 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -9.834 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: 4, replica: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -214.462281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.462281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.462281 (E_RNA) where: Base-Base interactions energy: -144.257 where: short stacking energy: -60.519 Base-Backbone interact. energy: -0.827 local terms energy: -69.378683 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -16.889 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -17.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -202.562143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.562143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.562143 (E_RNA) where: Base-Base interactions energy: -138.127 where: short stacking energy: -57.874 Base-Backbone interact. energy: -0.017 local terms energy: -64.417913 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -11.182 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -16.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -196.430796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.430796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.430796 (E_RNA) where: Base-Base interactions energy: -133.736 where: short stacking energy: -55.971 Base-Backbone interact. energy: -0.117 local terms energy: -62.578087 where: bonds (distance) C4'-P energy: -9.362 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -16.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -197.467622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.467622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.467622 (E_RNA) where: Base-Base interactions energy: -127.247 where: short stacking energy: -52.512 Base-Backbone interact. energy: -0.050 local terms energy: -70.170871 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -15.739 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -15.833 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: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -206.021988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.021988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.021988 (E_RNA) where: Base-Base interactions energy: -143.113 where: short stacking energy: -60.559 Base-Backbone interact. energy: 0.045 local terms energy: -62.954309 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -11.777 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -5.827 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: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -76.052899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.052899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.052899 (E_RNA) where: Base-Base interactions energy: -32.570 where: short stacking energy: -31.585 Base-Backbone interact. energy: -0.108 local terms energy: -43.374937 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -10.609 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -4.135 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: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -81.629645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.629645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.629645 (E_RNA) where: Base-Base interactions energy: -29.255 where: short stacking energy: -27.241 Base-Backbone interact. energy: 0.418 local terms energy: -52.792382 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -11.460 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -4.522 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: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -220.687584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.687584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.687584 (E_RNA) where: Base-Base interactions energy: -148.387 where: short stacking energy: -70.435 Base-Backbone interact. energy: -0.176 local terms energy: -72.124406 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -10.414 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: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -230.641049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.641049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.641049 (E_RNA) where: Base-Base interactions energy: -154.211 where: short stacking energy: -65.386 Base-Backbone interact. energy: -0.312 local terms energy: -76.117852 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -12.532 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: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -211.920698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.920698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.920698 (E_RNA) where: Base-Base interactions energy: -143.234 where: short stacking energy: -63.866 Base-Backbone interact. energy: -0.266 local terms energy: -68.421089 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -10.696 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: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -204.180767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.180767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.180767 (E_RNA) where: Base-Base interactions energy: -143.280 where: short stacking energy: -63.224 Base-Backbone interact. energy: -0.070 local terms energy: -60.830201 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -7.393 flat angles C4'-P-C4' energy: -14.498 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -15.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -197.595347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.595347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.595347 (E_RNA) where: Base-Base interactions energy: -138.054 where: short stacking energy: -57.602 Base-Backbone interact. energy: -0.080 local terms energy: -59.461335 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -10.884 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -13.576 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: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -208.773384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.773384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.773384 (E_RNA) where: Base-Base interactions energy: -138.437 where: short stacking energy: -61.049 Base-Backbone interact. energy: -0.096 local terms energy: -70.239689 where: bonds (distance) C4'-P energy: -13.220 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -8.842 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: 7, replica: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -201.015354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.015354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.015354 (E_RNA) where: Base-Base interactions energy: -132.593 where: short stacking energy: -54.405 Base-Backbone interact. energy: -0.110 local terms energy: -68.313268 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -15.630 flat angles P-C4'-P energy: -10.532 tors. eta vs tors. theta energy: -17.199 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: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -198.140212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.140212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.140212 (E_RNA) where: Base-Base interactions energy: -134.078 where: short stacking energy: -56.322 Base-Backbone interact. energy: -0.792 local terms energy: -63.269569 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -7.169 tors. eta vs tors. theta energy: -17.177 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: 9, replica: 8 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -70.232746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.232746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.232746 (E_RNA) where: Base-Base interactions energy: -25.598 where: short stacking energy: -25.598 Base-Backbone interact. energy: -0.173 local terms energy: -44.461084 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -69.994992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.994992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.994992 (E_RNA) where: Base-Base interactions energy: -19.746 where: short stacking energy: -18.972 Base-Backbone interact. energy: -0.019 local terms energy: -50.229949 where: bonds (distance) C4'-P energy: -8.430 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -6.208 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: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -224.671301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.671301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.671301 (E_RNA) where: Base-Base interactions energy: -151.360 where: short stacking energy: -66.086 Base-Backbone interact. energy: -0.046 local terms energy: -73.265925 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -15.595 flat angles C4'-P-C4' energy: -13.675 flat angles P-C4'-P energy: -10.736 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: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -213.610209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.610209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.610209 (E_RNA) where: Base-Base interactions energy: -144.815 where: short stacking energy: -54.048 Base-Backbone interact. energy: -0.169 local terms energy: -68.625332 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -10.552 tors. eta vs tors. theta energy: -13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -213.949925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.949925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.949925 (E_RNA) where: Base-Base interactions energy: -146.809 where: short stacking energy: -63.939 Base-Backbone interact. energy: -0.003 local terms energy: -67.138069 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -13.074 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -8.363 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: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -206.414402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.414402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.414402 (E_RNA) where: Base-Base interactions energy: -143.039 where: short stacking energy: -61.251 Base-Backbone interact. energy: -0.723 local terms energy: -62.653230 where: bonds (distance) C4'-P energy: -12.080 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -11.207 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -15.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -205.254931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.254931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.254931 (E_RNA) where: Base-Base interactions energy: -140.537 where: short stacking energy: -59.167 Base-Backbone interact. energy: -0.018 local terms energy: -64.699368 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -11.053 flat angles C4'-P-C4' energy: -16.207 flat angles P-C4'-P energy: -9.829 tors. eta vs tors. theta energy: -18.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -199.914543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.914543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.914543 (E_RNA) where: Base-Base interactions energy: -135.411 where: short stacking energy: -57.072 Base-Backbone interact. energy: 0.026 local terms energy: -64.530020 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -15.505 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: 7, replica: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -192.766065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.766065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.766065 (E_RNA) where: Base-Base interactions energy: -140.021 where: short stacking energy: -51.346 Base-Backbone interact. energy: -0.176 local terms energy: -52.569382 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -13.277 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -13.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -166.887212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.887212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.887212 (E_RNA) where: Base-Base interactions energy: -112.808 where: short stacking energy: -52.721 Base-Backbone interact. energy: 0.234 local terms energy: -54.312697 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -9.798 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: 9, replica: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -81.806431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.806431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.806431 (E_RNA) where: Base-Base interactions energy: -41.919 where: short stacking energy: -19.426 Base-Backbone interact. energy: -0.145 local terms energy: -39.741727 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: 4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -80.003584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.003584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.003584 (E_RNA) where: Base-Base interactions energy: -31.116 where: short stacking energy: -31.499 Base-Backbone interact. energy: -0.105 local terms energy: -48.781892 where: bonds (distance) C4'-P energy: -10.473 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -16.178 flat angles P-C4'-P energy: -8.144 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: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -221.506463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.506463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.506463 (E_RNA) where: Base-Base interactions energy: -146.687 where: short stacking energy: -61.654 Base-Backbone interact. energy: -0.091 local terms energy: -74.728623 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -14.383 flat angles P-C4'-P energy: -10.270 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: 2, replica: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -219.946810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.946810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.946810 (E_RNA) where: Base-Base interactions energy: -146.609 where: short stacking energy: -65.586 Base-Backbone interact. energy: -0.171 local terms energy: -73.167165 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -12.244 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: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -206.483304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.483304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.483304 (E_RNA) where: Base-Base interactions energy: -144.546 where: short stacking energy: -63.029 Base-Backbone interact. energy: -0.041 local terms energy: -61.896227 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -10.709 flat angles P-C4'-P energy: -10.164 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: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -209.307720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.307720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.307720 (E_RNA) where: Base-Base interactions energy: -149.052 where: short stacking energy: -63.357 Base-Backbone interact. energy: -0.305 local terms energy: -59.950798 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -15.292 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -15.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -209.199102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.199102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.199102 (E_RNA) where: Base-Base interactions energy: -139.453 where: short stacking energy: -64.771 Base-Backbone interact. energy: -0.009 local terms energy: -69.736284 where: bonds (distance) C4'-P energy: -14.685 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.197 flat angles P-C4'-P energy: -8.977 tors. eta vs tors. theta energy: -20.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -201.459725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.459725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.459725 (E_RNA) where: Base-Base interactions energy: -139.762 where: short stacking energy: -59.494 Base-Backbone interact. energy: -0.169 local terms energy: -61.527835 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -16.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -199.659887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.659887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.659887 (E_RNA) where: Base-Base interactions energy: -137.202 where: short stacking energy: -56.373 Base-Backbone interact. energy: -1.200 local terms energy: -61.257769 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -10.211 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: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -166.368783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.368783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.368783 (E_RNA) where: Base-Base interactions energy: -109.239 where: short stacking energy: -47.554 Base-Backbone interact. energy: -0.072 local terms energy: -57.057992 where: bonds (distance) C4'-P energy: -10.902 bonds (distance) P-C4' energy: -11.023 flat angles C4'-P-C4' energy: -12.350 flat angles P-C4'-P energy: -10.080 tors. eta vs tors. theta energy: -12.704 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: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -75.296834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.296834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.296834 (E_RNA) where: Base-Base interactions energy: -27.553 where: short stacking energy: -27.553 Base-Backbone interact. energy: -0.185 local terms energy: -47.558779 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -10.932 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -75.455275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.455275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.455275 (E_RNA) where: Base-Base interactions energy: -25.283 where: short stacking energy: -25.283 Base-Backbone interact. energy: 0.195 local terms energy: -50.367741 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -15.075 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -2.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -227.610376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.610376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.610376 (E_RNA) where: Base-Base interactions energy: -158.825 where: short stacking energy: -68.025 Base-Backbone interact. energy: -0.164 local terms energy: -68.620991 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -10.887 tors. eta vs tors. theta energy: -18.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -213.676463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.676463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.676463 (E_RNA) where: Base-Base interactions energy: -143.928 where: short stacking energy: -64.536 Base-Backbone interact. energy: -0.165 local terms energy: -69.582880 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -11.816 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: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -217.862008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.862008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.862008 (E_RNA) where: Base-Base interactions energy: -152.874 where: short stacking energy: -68.929 Base-Backbone interact. energy: -0.001 local terms energy: -64.986522 where: bonds (distance) C4'-P energy: -11.774 bonds (distance) P-C4' energy: -13.326 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -18.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -211.705191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.705191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.705191 (E_RNA) where: Base-Base interactions energy: -145.110 where: short stacking energy: -63.199 Base-Backbone interact. energy: -0.001 local terms energy: -66.594061 where: bonds (distance) C4'-P energy: -15.476 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -8.892 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -21.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -206.704148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.704148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.704148 (E_RNA) where: Base-Base interactions energy: -138.095 where: short stacking energy: -60.481 Base-Backbone interact. energy: -0.574 local terms energy: -68.035066 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -11.015 tors. eta vs tors. theta energy: -17.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -198.869195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.869195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.869195 (E_RNA) where: Base-Base interactions energy: -135.875 where: short stacking energy: -53.238 Base-Backbone interact. energy: -0.003 local terms energy: -62.992047 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: -13.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -195.889733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.889733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.889733 (E_RNA) where: Base-Base interactions energy: -137.591 where: short stacking energy: -63.261 Base-Backbone interact. energy: -0.622 local terms energy: -57.675916 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -9.051 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -7.654 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: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -188.347498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.347498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.347498 (E_RNA) where: Base-Base interactions energy: -124.644 where: short stacking energy: -60.855 Base-Backbone interact. energy: -0.011 local terms energy: -63.693139 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -13.350 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -4.514 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: 9, replica: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -78.941288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.941288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.941288 (E_RNA) where: Base-Base interactions energy: -32.809 where: short stacking energy: -27.894 Base-Backbone interact. energy: -0.120 local terms energy: -46.012436 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -15.788 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -4.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -66.973960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.973960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.973960 (E_RNA) where: Base-Base interactions energy: -27.806 where: short stacking energy: -27.806 Base-Backbone interact. energy: -0.025 local terms energy: -39.143137 where: bonds (distance) C4'-P energy: -14.237 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -3.234 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: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -221.178288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.178288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.178288 (E_RNA) where: Base-Base interactions energy: -148.346 where: short stacking energy: -64.960 Base-Backbone interact. energy: -0.041 local terms energy: -72.791801 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -12.626 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -11.315 tors. eta vs tors. theta energy: -18.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -216.808523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.808523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.808523 (E_RNA) where: Base-Base interactions energy: -147.245 where: short stacking energy: -66.678 Base-Backbone interact. energy: -0.004 local terms energy: -69.559784 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -12.696 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -17.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -210.198481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.198481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.198481 (E_RNA) where: Base-Base interactions energy: -139.694 where: short stacking energy: -62.639 Base-Backbone interact. energy: -0.002 local terms energy: -70.502868 where: bonds (distance) C4'-P energy: -16.498 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -17.163 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: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -222.600324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.600324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.600324 (E_RNA) where: Base-Base interactions energy: -151.045 where: short stacking energy: -64.482 Base-Backbone interact. energy: -0.010 local terms energy: -71.544801 where: bonds (distance) C4'-P energy: -15.253 bonds (distance) P-C4' energy: -13.047 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -19.755 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: 5, replica: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -209.662323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.662323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.662323 (E_RNA) where: Base-Base interactions energy: -141.229 where: short stacking energy: -61.405 Base-Backbone interact. energy: -0.030 local terms energy: -68.402625 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -7.626 tors. eta vs tors. theta energy: -18.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -209.468531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.468531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.468531 (E_RNA) where: Base-Base interactions energy: -140.568 where: short stacking energy: -55.297 Base-Backbone interact. energy: -0.074 local terms energy: -68.826834 where: bonds (distance) C4'-P energy: -13.127 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -9.626 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: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -195.959521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.959521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.959521 (E_RNA) where: Base-Base interactions energy: -139.465 where: short stacking energy: -53.543 Base-Backbone interact. energy: -0.103 local terms energy: -56.391577 where: bonds (distance) C4'-P energy: -9.204 bonds (distance) P-C4' energy: -10.210 flat angles C4'-P-C4' energy: -15.267 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -12.510 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: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -167.781246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.781246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.781246 (E_RNA) where: Base-Base interactions energy: -114.026 where: short stacking energy: -48.264 Base-Backbone interact. energy: -0.359 local terms energy: -53.395785 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -9.244 flat angles P-C4'-P energy: -8.592 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: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -77.271938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.271938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.271938 (E_RNA) where: Base-Base interactions energy: -28.411 where: short stacking energy: -28.411 Base-Backbone interact. energy: 0.072 local terms energy: -48.932681 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -66.130707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.130707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.130707 (E_RNA) where: Base-Base interactions energy: -23.846 where: short stacking energy: -23.846 Base-Backbone interact. energy: -0.185 local terms energy: -42.099269 where: bonds (distance) C4'-P energy: -7.985 bonds (distance) P-C4' energy: -10.949 flat angles C4'-P-C4' energy: -10.116 flat angles P-C4'-P energy: -7.875 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: 1, replica: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -215.149702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.149702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.149702 (E_RNA) where: Base-Base interactions energy: -145.675 where: short stacking energy: -58.322 Base-Backbone interact. energy: -0.391 local terms energy: -69.083715 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -11.993 flat angles P-C4'-P energy: -10.099 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: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -215.399241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.399241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.399241 (E_RNA) where: Base-Base interactions energy: -145.770 where: short stacking energy: -63.163 Base-Backbone interact. energy: -0.064 local terms energy: -69.566039 where: bonds (distance) C4'-P energy: -12.204 bonds (distance) P-C4' energy: -11.357 flat angles C4'-P-C4' energy: -15.185 flat angles P-C4'-P energy: -12.817 tors. eta vs tors. theta energy: -18.003 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: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -213.398351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.398351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.398351 (E_RNA) where: Base-Base interactions energy: -142.796 where: short stacking energy: -58.426 Base-Backbone interact. energy: -0.043 local terms energy: -70.558950 where: bonds (distance) C4'-P energy: -14.895 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -11.327 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: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -206.444008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.444008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.444008 (E_RNA) where: Base-Base interactions energy: -141.997 where: short stacking energy: -59.477 Base-Backbone interact. energy: -0.316 local terms energy: -64.131125 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -7.422 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: 5, replica: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -207.090991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.090991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.090991 (E_RNA) where: Base-Base interactions energy: -141.079 where: short stacking energy: -55.902 Base-Backbone interact. energy: -0.040 local terms energy: -65.971997 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -8.722 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: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -207.769734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.769734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.769734 (E_RNA) where: Base-Base interactions energy: -139.293 where: short stacking energy: -60.371 Base-Backbone interact. energy: -0.000 local terms energy: -68.475882 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -11.305 flat angles C4'-P-C4' energy: -16.262 flat angles P-C4'-P energy: -11.825 tors. eta vs tors. theta energy: -17.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -200.643030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.643030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.643030 (E_RNA) where: Base-Base interactions energy: -136.083 where: short stacking energy: -56.209 Base-Backbone interact. energy: -0.008 local terms energy: -64.551818 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -11.838 tors. eta vs tors. theta energy: -14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -73.407404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.407404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.407404 (E_RNA) where: Base-Base interactions energy: -21.763 where: short stacking energy: -21.763 Base-Backbone interact. energy: -0.139 local terms energy: -51.505219 where: bonds (distance) C4'-P energy: -14.033 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -5.058 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: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -151.865901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.865901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.865901 (E_RNA) where: Base-Base interactions energy: -100.330 where: short stacking energy: -37.471 Base-Backbone interact. energy: 1.269 local terms energy: -52.804791 where: bonds (distance) C4'-P energy: -9.349 bonds (distance) P-C4' energy: -10.040 flat angles C4'-P-C4' energy: -15.488 flat angles P-C4'-P energy: -12.291 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -93.751909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.751909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.751909 (E_RNA) where: Base-Base interactions energy: -41.162 where: short stacking energy: -29.090 Base-Backbone interact. energy: -0.107 local terms energy: -52.482411 where: bonds (distance) C4'-P energy: -9.017 bonds (distance) P-C4' energy: -15.634 flat angles C4'-P-C4' energy: -9.601 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -8.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -218.744826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.744826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.744826 (E_RNA) where: Base-Base interactions energy: -145.847 where: short stacking energy: -63.382 Base-Backbone interact. energy: -0.449 local terms energy: -72.449018 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -13.690 tors. eta vs tors. theta energy: -17.875 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: 218 Temperature: 0.950000 Total energy: -220.716136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.716136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.716136 (E_RNA) where: Base-Base interactions energy: -146.544 where: short stacking energy: -67.304 Base-Backbone interact. energy: -2.233 local terms energy: -71.938383 where: bonds (distance) C4'-P energy: -15.596 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -9.557 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: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -210.363006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.363006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.363006 (E_RNA) where: Base-Base interactions energy: -139.167 where: short stacking energy: -57.553 Base-Backbone interact. energy: 0.065 local terms energy: -71.260700 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -11.729 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: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -207.103923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.103923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.103923 (E_RNA) where: Base-Base interactions energy: -141.888 where: short stacking energy: -58.728 Base-Backbone interact. energy: -0.156 local terms energy: -65.060315 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -16.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -211.100934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.100934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.100934 (E_RNA) where: Base-Base interactions energy: -140.818 where: short stacking energy: -65.705 Base-Backbone interact. energy: -0.346 local terms energy: -69.937189 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -12.519 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -19.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -197.924255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.924255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.924255 (E_RNA) where: Base-Base interactions energy: -136.934 where: short stacking energy: -54.485 Base-Backbone interact. energy: -0.012 local terms energy: -60.978869 where: bonds (distance) C4'-P energy: -13.571 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -6.389 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: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -198.101761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.101761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.101761 (E_RNA) where: Base-Base interactions energy: -130.994 where: short stacking energy: -53.689 Base-Backbone interact. energy: -0.604 local terms energy: -66.503772 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -17.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -88.436580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.436580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.436580 (E_RNA) where: Base-Base interactions energy: -32.079 where: short stacking energy: -32.079 Base-Backbone interact. energy: -0.032 local terms energy: -56.326395 where: bonds (distance) C4'-P energy: -9.291 bonds (distance) P-C4' energy: -15.046 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -12.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -149.457736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.457736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.457736 (E_RNA) where: Base-Base interactions energy: -99.699 where: short stacking energy: -34.205 Base-Backbone interact. energy: -0.116 local terms energy: -49.643203 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -8.578 flat angles C4'-P-C4' energy: -14.375 flat angles P-C4'-P energy: -7.710 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -74.851229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.851229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.851229 (E_RNA) where: Base-Base interactions energy: -33.166 where: short stacking energy: -33.166 Base-Backbone interact. energy: -0.012 local terms energy: -41.673436 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -3.610 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: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -220.352336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.352336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.352336 (E_RNA) where: Base-Base interactions energy: -148.796 where: short stacking energy: -62.854 Base-Backbone interact. energy: -0.126 local terms energy: -71.429882 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -10.968 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: 2, replica: 2 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -216.841492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.841492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.841492 (E_RNA) where: Base-Base interactions energy: -147.368 where: short stacking energy: -66.787 Base-Backbone interact. energy: -0.284 local terms energy: -69.189462 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -16.393 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -10.887 tors. eta vs tors. theta energy: -15.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -221.504593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.504593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.504593 (E_RNA) where: Base-Base interactions energy: -144.789 where: short stacking energy: -64.063 Base-Backbone interact. energy: -0.168 local terms energy: -76.547682 where: bonds (distance) C4'-P energy: -15.563 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -16.352 flat angles P-C4'-P energy: -11.473 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: 4, replica: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -210.130004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.130004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.130004 (E_RNA) where: Base-Base interactions energy: -141.650 where: short stacking energy: -61.122 Base-Backbone interact. energy: -0.066 local terms energy: -68.414009 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -15.739 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -17.586 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: 5, replica: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -206.898927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.898927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.898927 (E_RNA) where: Base-Base interactions energy: -146.670 where: short stacking energy: -64.169 Base-Backbone interact. energy: -0.021 local terms energy: -60.208377 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -16.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -205.860000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.860000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.860000 (E_RNA) where: Base-Base interactions energy: -139.761 where: short stacking energy: -64.150 Base-Backbone interact. energy: -0.009 local terms energy: -66.089400 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -19.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -197.796705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.796705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.796705 (E_RNA) where: Base-Base interactions energy: -134.560 where: short stacking energy: -54.430 Base-Backbone interact. energy: -0.005 local terms energy: -63.231896 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -12.531 tors. eta vs tors. theta energy: -11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -110.490655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.490655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.490655 (E_RNA) where: Base-Base interactions energy: -69.564 where: short stacking energy: -31.310 Base-Backbone interact. energy: 0.807 local terms energy: -41.733537 where: bonds (distance) C4'-P energy: -13.715 bonds (distance) P-C4' energy: -6.089 flat angles C4'-P-C4' energy: -9.735 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -102.534018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.534018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.534018 (E_RNA) where: Base-Base interactions energy: -61.681 where: short stacking energy: -33.834 Base-Backbone interact. energy: -0.253 local terms energy: -40.599880 where: bonds (distance) C4'-P energy: -8.881 bonds (distance) P-C4' energy: -11.037 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -3.912 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: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -75.566020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.566020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.566020 (E_RNA) where: Base-Base interactions energy: -27.643 where: short stacking energy: -27.843 Base-Backbone interact. energy: -0.067 local terms energy: -47.856794 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -6.898 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: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -212.851590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.851590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.851590 (E_RNA) where: Base-Base interactions energy: -150.729 where: short stacking energy: -60.799 Base-Backbone interact. energy: -0.115 local terms energy: -62.007303 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -7.443 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: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -218.558734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.558734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.558734 (E_RNA) where: Base-Base interactions energy: -145.600 where: short stacking energy: -64.471 Base-Backbone interact. energy: -0.078 local terms energy: -72.880441 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -15.690 flat angles C4'-P-C4' energy: -16.137 flat angles P-C4'-P energy: -9.843 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: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -210.576798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.576798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.576798 (E_RNA) where: Base-Base interactions energy: -139.452 where: short stacking energy: -61.324 Base-Backbone interact. energy: -0.094 local terms energy: -71.030322 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -10.666 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: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -216.813518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.813518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.813518 (E_RNA) where: Base-Base interactions energy: -146.222 where: short stacking energy: -67.725 Base-Backbone interact. energy: -1.049 local terms energy: -69.543214 where: bonds (distance) C4'-P energy: -9.852 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -10.636 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: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -204.573621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.573621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.573621 (E_RNA) where: Base-Base interactions energy: -140.031 where: short stacking energy: -65.084 Base-Backbone interact. energy: -0.006 local terms energy: -64.536255 where: bonds (distance) C4'-P energy: -9.704 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -9.989 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: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -213.789382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.789382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.789382 (E_RNA) where: Base-Base interactions energy: -144.709 where: short stacking energy: -65.519 Base-Backbone interact. energy: -0.093 local terms energy: -68.988173 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -16.249 flat angles P-C4'-P energy: -4.921 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: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -194.842046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.842046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.842046 (E_RNA) where: Base-Base interactions energy: -138.345 where: short stacking energy: -59.186 Base-Backbone interact. energy: -0.005 local terms energy: -56.492161 where: bonds (distance) C4'-P energy: -9.363 bonds (distance) P-C4' energy: -11.025 flat angles C4'-P-C4' energy: -15.023 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -14.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -96.551759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.551759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.551759 (E_RNA) where: Base-Base interactions energy: -44.566 where: short stacking energy: -31.783 Base-Backbone interact. energy: -0.108 local terms energy: -51.877504 where: bonds (distance) C4'-P energy: -9.326 bonds (distance) P-C4' energy: -17.383 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -5.870 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: 220 Temperature: 1.300000 Total energy: -105.129289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.129289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.129289 (E_RNA) where: Base-Base interactions energy: -59.938 where: short stacking energy: -33.498 Base-Backbone interact. energy: -0.082 local terms energy: -45.109810 where: bonds (distance) C4'-P energy: -7.103 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -8.973 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: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -69.863130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.863130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.863130 (E_RNA) where: Base-Base interactions energy: -25.974 where: short stacking energy: -15.780 Base-Backbone interact. energy: 0.854 local terms energy: -44.743118 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -12.959 flat angles C4'-P-C4' energy: -11.556 flat angles P-C4'-P energy: -11.075 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -218.859560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.859560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.859560 (E_RNA) where: Base-Base interactions energy: -147.155 where: short stacking energy: -62.107 Base-Backbone interact. energy: -0.008 local terms energy: -71.696262 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -13.074 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -9.617 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: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -217.220521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.220521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.220521 (E_RNA) where: Base-Base interactions energy: -149.390 where: short stacking energy: -66.640 Base-Backbone interact. energy: -0.002 local terms energy: -67.829161 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -17.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -211.598153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.598153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.598153 (E_RNA) where: Base-Base interactions energy: -146.935 where: short stacking energy: -62.863 Base-Backbone interact. energy: -0.119 local terms energy: -64.543877 where: bonds (distance) C4'-P energy: -9.572 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -12.516 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -17.658 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: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -206.369465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.369465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.369465 (E_RNA) where: Base-Base interactions energy: -144.670 where: short stacking energy: -63.353 Base-Backbone interact. energy: -0.067 local terms energy: -61.631921 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -11.097 flat angles C4'-P-C4' energy: -15.607 flat angles P-C4'-P energy: -10.234 tors. eta vs tors. theta energy: -15.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -192.101309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.101309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.101309 (E_RNA) where: Base-Base interactions energy: -134.661 where: short stacking energy: -52.979 Base-Backbone interact. energy: -0.145 local terms energy: -57.295201 where: bonds (distance) C4'-P energy: -13.551 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -8.961 flat angles P-C4'-P energy: -13.091 tors. eta vs tors. theta energy: -9.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -199.824219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.824219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.824219 (E_RNA) where: Base-Base interactions energy: -135.292 where: short stacking energy: -56.108 Base-Backbone interact. energy: -0.043 local terms energy: -64.489509 where: bonds (distance) C4'-P energy: -14.669 bonds (distance) P-C4' energy: -9.996 flat angles C4'-P-C4' energy: -12.363 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -17.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -203.897572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.897572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.897572 (E_RNA) where: Base-Base interactions energy: -141.781 where: short stacking energy: -61.800 Base-Backbone interact. energy: -0.017 local terms energy: -62.100096 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -14.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -124.737950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.737950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.737950 (E_RNA) where: Base-Base interactions energy: -69.369 where: short stacking energy: -40.341 Base-Backbone interact. energy: -0.126 local terms energy: -55.242573 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -9.742 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: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -75.612977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.612977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.612977 (E_RNA) where: Base-Base interactions energy: -29.973 where: short stacking energy: -29.943 Base-Backbone interact. energy: -0.175 local terms energy: -45.464486 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -6.659 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: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -66.495414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.495414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.495414 (E_RNA) where: Base-Base interactions energy: -23.824 where: short stacking energy: -22.627 Base-Backbone interact. energy: -0.182 local terms energy: -42.489671 where: bonds (distance) C4'-P energy: -10.786 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -10.643 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: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -221.941708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.941708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.941708 (E_RNA) where: Base-Base interactions energy: -147.515 where: short stacking energy: -63.675 Base-Backbone interact. energy: -0.858 local terms energy: -73.567907 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -10.035 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: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -219.102734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.102734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.102734 (E_RNA) where: Base-Base interactions energy: -150.762 where: short stacking energy: -65.767 Base-Backbone interact. energy: 0.259 local terms energy: -68.599593 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -11.576 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: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -215.717957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.717957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.717957 (E_RNA) where: Base-Base interactions energy: -149.751 where: short stacking energy: -63.710 Base-Backbone interact. energy: -0.002 local terms energy: -65.965005 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -11.054 tors. eta vs tors. theta energy: -19.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -212.615208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.615208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.615208 (E_RNA) where: Base-Base interactions energy: -144.471 where: short stacking energy: -63.088 Base-Backbone interact. energy: 1.151 local terms energy: -69.295595 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -19.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -200.341336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.341336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.341336 (E_RNA) where: Base-Base interactions energy: -139.034 where: short stacking energy: -58.737 Base-Backbone interact. energy: -0.011 local terms energy: -61.296396 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -8.931 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: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -201.263890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.263890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.263890 (E_RNA) where: Base-Base interactions energy: -138.839 where: short stacking energy: -60.993 Base-Backbone interact. energy: -0.062 local terms energy: -62.362727 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -17.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -201.985106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.985106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.985106 (E_RNA) where: Base-Base interactions energy: -131.789 where: short stacking energy: -61.009 Base-Backbone interact. energy: -0.007 local terms energy: -70.189857 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -11.731 flat angles P-C4'-P energy: -11.700 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: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -105.539074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.539074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.539074 (E_RNA) where: Base-Base interactions energy: -57.106 where: short stacking energy: -31.427 Base-Backbone interact. energy: -0.136 local terms energy: -48.297223 where: bonds (distance) C4'-P energy: -12.279 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -13.741 flat angles P-C4'-P energy: -4.357 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: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -72.015779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.015779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.015779 (E_RNA) where: Base-Base interactions energy: -32.707 where: short stacking energy: -21.181 Base-Backbone interact. energy: 1.342 local terms energy: -40.650388 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -8.995 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -8.431 tors. eta vs tors. theta energy: 3.795 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: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -68.056269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.056269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.056269 (E_RNA) where: Base-Base interactions energy: -29.138 where: short stacking energy: -25.589 Base-Backbone interact. energy: 1.767 local terms energy: -40.685414 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -5.736 flat angles C4'-P-C4' energy: -10.131 flat angles P-C4'-P energy: -8.598 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: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -222.431028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.431028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.431028 (E_RNA) where: Base-Base interactions energy: -150.539 where: short stacking energy: -67.150 Base-Backbone interact. energy: -0.044 local terms energy: -71.848242 where: bonds (distance) C4'-P energy: -13.571 bonds (distance) P-C4' energy: -14.086 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -11.338 tors. eta vs tors. theta energy: -17.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -218.872268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.872268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.872268 (E_RNA) where: Base-Base interactions energy: -146.939 where: short stacking energy: -64.979 Base-Backbone interact. energy: -0.869 local terms energy: -71.064443 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -18.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -214.752926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.752926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.752926 (E_RNA) where: Base-Base interactions energy: -147.214 where: short stacking energy: -63.508 Base-Backbone interact. energy: -0.012 local terms energy: -67.526102 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -13.587 flat angles C4'-P-C4' energy: -10.931 flat angles P-C4'-P energy: -12.265 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: 4, replica: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -205.166842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.166842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.166842 (E_RNA) where: Base-Base interactions energy: -145.155 where: short stacking energy: -58.446 Base-Backbone interact. energy: -0.568 local terms energy: -59.444097 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -5.602 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: 5, replica: 10 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -200.400369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.400369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.400369 (E_RNA) where: Base-Base interactions energy: -140.029 where: short stacking energy: -54.837 Base-Backbone interact. energy: -0.002 local terms energy: -60.369456 where: bonds (distance) C4'-P energy: -9.230 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: -7.751 tors. eta vs tors. theta energy: -14.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -206.027333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.027333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.027333 (E_RNA) where: Base-Base interactions energy: -140.092 where: short stacking energy: -58.656 Base-Backbone interact. energy: -0.060 local terms energy: -65.875336 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -10.619 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: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -198.511875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.511875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.511875 (E_RNA) where: Base-Base interactions energy: -134.574 where: short stacking energy: -56.551 Base-Backbone interact. energy: -0.212 local terms energy: -63.726362 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -12.358 flat angles P-C4'-P energy: -8.040 tors. eta vs tors. theta energy: -14.613 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: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -87.057731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.057731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.057731 (E_RNA) where: Base-Base interactions energy: -40.562 where: short stacking energy: -37.815 Base-Backbone interact. energy: -0.475 local terms energy: -46.021133 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -4.042 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: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -145.771953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.771953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.771953 (E_RNA) where: Base-Base interactions energy: -88.401 where: short stacking energy: -36.444 Base-Backbone interact. energy: -0.097 local terms energy: -57.273972 where: bonds (distance) C4'-P energy: -10.288 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -12.073 tors. eta vs tors. theta energy: -7.857 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: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -73.347428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.347428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.347428 (E_RNA) where: Base-Base interactions energy: -30.981 where: short stacking energy: -30.981 Base-Backbone interact. energy: -0.026 local terms energy: -42.340901 where: bonds (distance) C4'-P energy: -7.715 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -10.533 flat angles P-C4'-P energy: -6.641 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -225.002318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.002318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.002318 (E_RNA) where: Base-Base interactions energy: -147.393 where: short stacking energy: -65.102 Base-Backbone interact. energy: -0.068 local terms energy: -77.541391 where: bonds (distance) C4'-P energy: -13.444 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -16.792 flat angles P-C4'-P energy: -11.686 tors. eta vs tors. theta energy: -21.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -219.205965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.205965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.205965 (E_RNA) where: Base-Base interactions energy: -148.456 where: short stacking energy: -62.046 Base-Backbone interact. energy: -0.001 local terms energy: -70.749244 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -10.981 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -13.884 tors. eta vs tors. theta energy: -19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -202.903004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.903004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.903004 (E_RNA) where: Base-Base interactions energy: -131.492 where: short stacking energy: -55.665 Base-Backbone interact. energy: -0.675 local terms energy: -70.736680 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -11.508 tors. eta vs tors. theta energy: -15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -211.425838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.425838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.425838 (E_RNA) where: Base-Base interactions energy: -141.195 where: short stacking energy: -62.404 Base-Backbone interact. energy: -0.059 local terms energy: -70.171784 where: bonds (distance) C4'-P energy: -14.987 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -11.259 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: 5, replica: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -207.062361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.062361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.062361 (E_RNA) where: Base-Base interactions energy: -139.300 where: short stacking energy: -63.037 Base-Backbone interact. energy: -0.342 local terms energy: -67.420755 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -13.945 tors. eta vs tors. theta energy: -16.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -203.351119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.351119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.351119 (E_RNA) where: Base-Base interactions energy: -133.021 where: short stacking energy: -56.258 Base-Backbone interact. energy: -0.001 local terms energy: -70.330021 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -11.891 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: 7, replica: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -195.685667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.685667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.685667 (E_RNA) where: Base-Base interactions energy: -131.164 where: short stacking energy: -58.783 Base-Backbone interact. energy: -0.006 local terms energy: -64.515736 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -12.263 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: 8, replica: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -80.768364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.768364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.768364 (E_RNA) where: Base-Base interactions energy: -32.849 where: short stacking energy: -17.046 Base-Backbone interact. energy: -0.141 local terms energy: -47.778263 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -11.894 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: 3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -157.008535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.008535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.008535 (E_RNA) where: Base-Base interactions energy: -96.930 where: short stacking energy: -43.838 Base-Backbone interact. energy: -0.280 local terms energy: -59.798382 where: bonds (distance) C4'-P energy: -11.806 bonds (distance) P-C4' energy: -14.627 flat angles C4'-P-C4' energy: -15.641 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -10.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -76.327807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.327807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.327807 (E_RNA) where: Base-Base interactions energy: -29.201 where: short stacking energy: -29.201 Base-Backbone interact. energy: -0.236 local terms energy: -46.890239 where: bonds (distance) C4'-P energy: -9.934 bonds (distance) P-C4' energy: -15.225 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -219.752486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.752486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.752486 (E_RNA) where: Base-Base interactions energy: -151.637 where: short stacking energy: -61.584 Base-Backbone interact. energy: 0.268 local terms energy: -68.384035 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -10.576 tors. eta vs tors. theta energy: -14.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -210.631800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.631800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.631800 (E_RNA) where: Base-Base interactions energy: -139.973 where: short stacking energy: -59.973 Base-Backbone interact. energy: -0.016 local terms energy: -70.642421 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -9.760 tors. eta vs tors. theta energy: -18.177 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: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -219.315294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.315294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.315294 (E_RNA) where: Base-Base interactions energy: -151.346 where: short stacking energy: -65.893 Base-Backbone interact. energy: -0.025 local terms energy: -67.944856 where: bonds (distance) C4'-P energy: -10.702 bonds (distance) P-C4' energy: -16.115 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -20.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -206.709599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.709599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.709599 (E_RNA) where: Base-Base interactions energy: -139.407 where: short stacking energy: -62.084 Base-Backbone interact. energy: -0.001 local terms energy: -67.301553 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -16.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -203.607563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.607563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.607563 (E_RNA) where: Base-Base interactions energy: -144.169 where: short stacking energy: -62.206 Base-Backbone interact. energy: -0.352 local terms energy: -59.086311 where: bonds (distance) C4'-P energy: -9.403 bonds (distance) P-C4' energy: -12.675 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -9.197 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: 6, replica: 10 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -204.908963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.908963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.908963 (E_RNA) where: Base-Base interactions energy: -137.338 where: short stacking energy: -63.942 Base-Backbone interact. energy: 0.884 local terms energy: -68.455805 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -15.645 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -16.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -202.555858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.555858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.555858 (E_RNA) where: Base-Base interactions energy: -140.016 where: short stacking energy: -59.793 Base-Backbone interact. energy: 0.700 local terms energy: -63.239652 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -15.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -119.216878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.216878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.216878 (E_RNA) where: Base-Base interactions energy: -69.900 where: short stacking energy: -35.316 Base-Backbone interact. energy: 0.876 local terms energy: -50.192774 where: bonds (distance) C4'-P energy: -7.393 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -78.783743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.783743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.783743 (E_RNA) where: Base-Base interactions energy: -36.561 where: short stacking energy: -22.636 Base-Backbone interact. energy: -0.201 local terms energy: -42.021381 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -13.443 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -67.718409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.718409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.718409 (E_RNA) where: Base-Base interactions energy: -29.236 where: short stacking energy: -29.210 Base-Backbone interact. energy: 0.005 local terms energy: -38.486893 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -2.333 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: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -219.090869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.090869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.090869 (E_RNA) where: Base-Base interactions energy: -149.969 where: short stacking energy: -65.013 Base-Backbone interact. energy: -0.279 local terms energy: -68.842559 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -15.668 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -12.128 tors. eta vs tors. theta energy: -15.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -217.461735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.461735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.461735 (E_RNA) where: Base-Base interactions energy: -141.867 where: short stacking energy: -66.174 Base-Backbone interact. energy: -0.013 local terms energy: -75.582247 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -15.674 flat angles C4'-P-C4' energy: -17.321 flat angles P-C4'-P energy: -11.792 tors. eta vs tors. theta energy: -20.568 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: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -218.422927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.422927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.422927 (E_RNA) where: Base-Base interactions energy: -145.331 where: short stacking energy: -64.548 Base-Backbone interact. energy: -1.253 local terms energy: -71.838655 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -19.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -208.480848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.480848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.480848 (E_RNA) where: Base-Base interactions energy: -140.447 where: short stacking energy: -61.834 Base-Backbone interact. energy: -0.305 local terms energy: -67.728659 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -15.946 flat angles P-C4'-P energy: -13.131 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: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -210.644578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.644578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.644578 (E_RNA) where: Base-Base interactions energy: -140.914 where: short stacking energy: -58.765 Base-Backbone interact. energy: 0.587 local terms energy: -70.317735 where: bonds (distance) C4'-P energy: -12.463 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -11.096 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: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -201.962124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.962124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.962124 (E_RNA) where: Base-Base interactions energy: -139.228 where: short stacking energy: -65.846 Base-Backbone interact. energy: -0.419 local terms energy: -62.315294 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -18.504 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: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -195.392692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.392692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.392692 (E_RNA) where: Base-Base interactions energy: -134.471 where: short stacking energy: -54.375 Base-Backbone interact. energy: -0.045 local terms energy: -60.877356 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -9.453 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -11.028 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: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -168.712751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.712751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.712751 (E_RNA) where: Base-Base interactions energy: -109.370 where: short stacking energy: -52.963 Base-Backbone interact. energy: -0.053 local terms energy: -59.290184 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -14.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -75.193156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.193156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.193156 (E_RNA) where: Base-Base interactions energy: -31.159 where: short stacking energy: -31.159 Base-Backbone interact. energy: -0.023 local terms energy: -44.011465 where: bonds (distance) C4'-P energy: -15.981 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -68.067985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.067985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.067985 (E_RNA) where: Base-Base interactions energy: -35.458 where: short stacking energy: -23.358 Base-Backbone interact. energy: -0.437 local terms energy: -32.172761 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -3.337 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: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -224.185903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.185903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.185903 (E_RNA) where: Base-Base interactions energy: -153.178 where: short stacking energy: -65.622 Base-Backbone interact. energy: -0.058 local terms energy: -70.950083 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -13.852 flat angles P-C4'-P energy: -10.573 tors. eta vs tors. theta energy: -17.080 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: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -217.795791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.795791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.795791 (E_RNA) where: Base-Base interactions energy: -140.631 where: short stacking energy: -59.768 Base-Backbone interact. energy: -0.062 local terms energy: -77.103140 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -17.599 flat angles P-C4'-P energy: -11.018 tors. eta vs tors. theta energy: -19.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -218.931687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.931687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.931687 (E_RNA) where: Base-Base interactions energy: -153.222 where: short stacking energy: -69.878 Base-Backbone interact. energy: -0.768 local terms energy: -64.942325 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -10.188 tors. eta vs tors. theta energy: -20.841 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: 4, replica: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -211.941368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.941368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.941368 (E_RNA) where: Base-Base interactions energy: -142.675 where: short stacking energy: -57.369 Base-Backbone interact. energy: 0.479 local terms energy: -69.745731 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -11.842 tors. eta vs tors. theta energy: -20.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -206.322937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.322937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.322937 (E_RNA) where: Base-Base interactions energy: -142.207 where: short stacking energy: -60.805 Base-Backbone interact. energy: 1.701 local terms energy: -65.816822 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -10.867 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: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -198.394399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.394399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.394399 (E_RNA) where: Base-Base interactions energy: -142.420 where: short stacking energy: -58.239 Base-Backbone interact. energy: -0.220 local terms energy: -55.754070 where: bonds (distance) C4'-P energy: -8.716 bonds (distance) P-C4' energy: -10.866 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -16.409 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: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -200.502744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.502744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.502744 (E_RNA) where: Base-Base interactions energy: -139.164 where: short stacking energy: -62.386 Base-Backbone interact. energy: -0.013 local terms energy: -61.324951 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -10.754 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -7.093 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: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -145.416975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.416975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.416975 (E_RNA) where: Base-Base interactions energy: -95.351 where: short stacking energy: -39.482 Base-Backbone interact. energy: -0.139 local terms energy: -49.927044 where: bonds (distance) C4'-P energy: -9.693 bonds (distance) P-C4' energy: -11.433 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -11.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -70.507010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.507010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.507010 (E_RNA) where: Base-Base interactions energy: -28.417 where: short stacking energy: -20.010 Base-Backbone interact. energy: 0.210 local terms energy: -42.300799 where: bonds (distance) C4'-P energy: -16.353 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -10.225 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -73.668305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.668305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.668305 (E_RNA) where: Base-Base interactions energy: -29.538 where: short stacking energy: -18.622 Base-Backbone interact. energy: -0.116 local terms energy: -44.014835 where: bonds (distance) C4'-P energy: -10.303 bonds (distance) P-C4' energy: -11.467 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -220.774780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.774780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.774780 (E_RNA) where: Base-Base interactions energy: -147.874 where: short stacking energy: -66.264 Base-Backbone interact. energy: -0.010 local terms energy: -72.891210 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -14.806 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -10.533 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: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -220.913510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.913510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.913510 (E_RNA) where: Base-Base interactions energy: -149.898 where: short stacking energy: -65.729 Base-Backbone interact. energy: -0.128 local terms energy: -70.887328 where: bonds (distance) C4'-P energy: -13.534 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -19.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -219.042197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.042197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.042197 (E_RNA) where: Base-Base interactions energy: -148.635 where: short stacking energy: -65.745 Base-Backbone interact. energy: -0.149 local terms energy: -70.257986 where: bonds (distance) C4'-P energy: -9.923 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -21.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -210.838690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.838690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.838690 (E_RNA) where: Base-Base interactions energy: -142.643 where: short stacking energy: -62.098 Base-Backbone interact. energy: -0.591 local terms energy: -67.605140 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -13.091 flat angles P-C4'-P energy: -9.283 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: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -208.801665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.801665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.801665 (E_RNA) where: Base-Base interactions energy: -137.676 where: short stacking energy: -55.962 Base-Backbone interact. energy: -0.282 local terms energy: -70.844268 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -15.880 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -10.265 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: 6, replica: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -203.965122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.965122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.965122 (E_RNA) where: Base-Base interactions energy: -138.141 where: short stacking energy: -58.965 Base-Backbone interact. energy: -0.019 local terms energy: -65.805424 where: bonds (distance) C4'-P energy: -11.377 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -18.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -150.894031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.894031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.894031 (E_RNA) where: Base-Base interactions energy: -95.647 where: short stacking energy: -43.049 Base-Backbone interact. energy: -0.332 local terms energy: -54.915060 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -10.646 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: -8.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -189.166167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.166167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.166167 (E_RNA) where: Base-Base interactions energy: -123.819 where: short stacking energy: -52.904 Base-Backbone interact. energy: -0.130 local terms energy: -65.216948 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -14.924 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: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -120.474494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.474494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.474494 (E_RNA) where: Base-Base interactions energy: -64.748 where: short stacking energy: -38.455 Base-Backbone interact. energy: -0.012 local terms energy: -55.714942 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -11.628 tors. eta vs tors. theta energy: -8.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -71.571973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.571973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.571973 (E_RNA) where: Base-Base interactions energy: -36.308 where: short stacking energy: -25.408 Base-Backbone interact. energy: -0.036 local terms energy: -35.227400 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -11.981 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: 3.211 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: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -222.829444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.829444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.829444 (E_RNA) where: Base-Base interactions energy: -151.739 where: short stacking energy: -69.793 Base-Backbone interact. energy: -0.602 local terms energy: -70.488905 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -11.395 tors. eta vs tors. theta energy: -19.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -218.684385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.684385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.684385 (E_RNA) where: Base-Base interactions energy: -152.275 where: short stacking energy: -74.487 Base-Backbone interact. energy: -0.019 local terms energy: -66.390598 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -13.066 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -20.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -220.025461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.025461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.025461 (E_RNA) where: Base-Base interactions energy: -145.417 where: short stacking energy: -65.033 Base-Backbone interact. energy: -0.401 local terms energy: -74.207390 where: bonds (distance) C4'-P energy: -15.224 bonds (distance) P-C4' energy: -14.893 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -12.257 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: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -213.640520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.640520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.640520 (E_RNA) where: Base-Base interactions energy: -152.864 where: short stacking energy: -61.831 Base-Backbone interact. energy: -0.004 local terms energy: -60.772560 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: -18.008 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: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -209.802312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.802312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.802312 (E_RNA) where: Base-Base interactions energy: -147.572 where: short stacking energy: -63.842 Base-Backbone interact. energy: -0.243 local terms energy: -61.986968 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -8.503 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -18.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -201.480080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.480080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.480080 (E_RNA) where: Base-Base interactions energy: -140.660 where: short stacking energy: -64.967 Base-Backbone interact. energy: 0.185 local terms energy: -61.005882 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -10.360 flat angles P-C4'-P energy: -9.310 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: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -156.619157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.619157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.619157 (E_RNA) where: Base-Base interactions energy: -98.364 where: short stacking energy: -40.734 Base-Backbone interact. energy: 0.968 local terms energy: -59.223556 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -10.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -196.467472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.467472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.467472 (E_RNA) where: Base-Base interactions energy: -144.259 where: short stacking energy: -60.169 Base-Backbone interact. energy: -0.626 local terms energy: -51.582278 where: bonds (distance) C4'-P energy: -7.829 bonds (distance) P-C4' energy: -9.470 flat angles C4'-P-C4' energy: -12.465 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -14.071 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: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -117.454851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.454851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.454851 (E_RNA) where: Base-Base interactions energy: -64.556 where: short stacking energy: -42.704 Base-Backbone interact. energy: -0.028 local terms energy: -52.871652 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -8.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -81.950802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.950802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.950802 (E_RNA) where: Base-Base interactions energy: -26.387 where: short stacking energy: -20.075 Base-Backbone interact. energy: -0.133 local terms energy: -55.430331 where: bonds (distance) C4'-P energy: -13.266 bonds (distance) P-C4' energy: -16.923 flat angles C4'-P-C4' energy: -9.094 flat angles P-C4'-P energy: -8.878 tors. eta vs tors. theta energy: -7.269 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: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -224.643822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.643822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.643822 (E_RNA) where: Base-Base interactions energy: -149.540 where: short stacking energy: -64.408 Base-Backbone interact. energy: -0.073 local terms energy: -75.030647 where: bonds (distance) C4'-P energy: -13.601 bonds (distance) P-C4' energy: -14.043 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: -20.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -218.714396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.714396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.714396 (E_RNA) where: Base-Base interactions energy: -146.958 where: short stacking energy: -60.304 Base-Backbone interact. energy: -0.003 local terms energy: -71.754048 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -13.868 flat angles P-C4'-P energy: -8.077 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: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -221.520407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.520407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.520407 (E_RNA) where: Base-Base interactions energy: -151.935 where: short stacking energy: -70.915 Base-Backbone interact. energy: -0.083 local terms energy: -69.502122 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -10.240 tors. eta vs tors. theta energy: -20.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -202.656940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.656940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.656940 (E_RNA) where: Base-Base interactions energy: -133.649 where: short stacking energy: -51.693 Base-Backbone interact. energy: -0.701 local terms energy: -68.306057 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -204.930335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.930335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.930335 (E_RNA) where: Base-Base interactions energy: -143.285 where: short stacking energy: -63.403 Base-Backbone interact. energy: -0.014 local terms energy: -61.631358 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -11.834 tors. eta vs tors. theta energy: -20.116 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: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -203.847662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.847662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.847662 (E_RNA) where: Base-Base interactions energy: -140.177 where: short stacking energy: -61.673 Base-Backbone interact. energy: -0.013 local terms energy: -63.657077 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -10.699 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -18.105 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: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -196.196525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.196525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.196525 (E_RNA) where: Base-Base interactions energy: -133.142 where: short stacking energy: -55.882 Base-Backbone interact. energy: -0.025 local terms energy: -63.029569 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -8.961 tors. eta vs tors. theta energy: -15.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -154.602525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.602525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.602525 (E_RNA) where: Base-Base interactions energy: -102.974 where: short stacking energy: -39.386 Base-Backbone interact. energy: -0.132 local terms energy: -51.497352 where: bonds (distance) C4'-P energy: -10.287 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -7.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -106.212867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.212867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.212867 (E_RNA) where: Base-Base interactions energy: -67.010 where: short stacking energy: -35.293 Base-Backbone interact. energy: -0.028 local terms energy: -39.174602 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -6.045 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: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -70.770524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.770524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.770524 (E_RNA) where: Base-Base interactions energy: -24.765 where: short stacking energy: -24.765 Base-Backbone interact. energy: -0.001 local terms energy: -46.005205 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -6.883 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: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -221.995970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.995970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.995970 (E_RNA) where: Base-Base interactions energy: -146.908 where: short stacking energy: -61.455 Base-Backbone interact. energy: -0.488 local terms energy: -74.599782 where: bonds (distance) C4'-P energy: -14.610 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -12.528 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: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -220.176701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.176701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.176701 (E_RNA) where: Base-Base interactions energy: -153.777 where: short stacking energy: -66.106 Base-Backbone interact. energy: -0.003 local terms energy: -66.396367 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -10.656 flat angles P-C4'-P energy: -10.773 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: 3, replica: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -214.462730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.462730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.462730 (E_RNA) where: Base-Base interactions energy: -144.277 where: short stacking energy: -61.555 Base-Backbone interact. energy: 1.054 local terms energy: -71.239349 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -12.224 tors. eta vs tors. theta energy: -17.459 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: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -216.355346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.355346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.355346 (E_RNA) where: Base-Base interactions energy: -147.183 where: short stacking energy: -60.947 Base-Backbone interact. energy: -0.002 local terms energy: -69.170168 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -10.870 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: 231 Temperature: 1.100000 Total energy: -201.325143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.325143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.325143 (E_RNA) where: Base-Base interactions energy: -137.310 where: short stacking energy: -52.491 Base-Backbone interact. energy: -0.497 local terms energy: -63.518147 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -10.689 flat angles C4'-P-C4' energy: -15.743 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -201.956032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.956032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.956032 (E_RNA) where: Base-Base interactions energy: -138.806 where: short stacking energy: -59.692 Base-Backbone interact. energy: -0.052 local terms energy: -63.097928 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -11.355 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -14.995 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: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -200.801494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.801494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.801494 (E_RNA) where: Base-Base interactions energy: -134.244 where: short stacking energy: -58.545 Base-Backbone interact. energy: -0.929 local terms energy: -65.627732 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -5.217 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: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -158.953903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.953903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.953903 (E_RNA) where: Base-Base interactions energy: -102.803 where: short stacking energy: -42.051 Base-Backbone interact. energy: -0.125 local terms energy: -56.025796 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -6.707 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: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -85.543880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.543880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.543880 (E_RNA) where: Base-Base interactions energy: -35.439 where: short stacking energy: -32.877 Base-Backbone interact. energy: -0.101 local terms energy: -50.004197 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -12.541 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -73.521861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.521861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.521861 (E_RNA) where: Base-Base interactions energy: -26.041 where: short stacking energy: -26.041 Base-Backbone interact. energy: -0.094 local terms energy: -47.386390 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -11.343 flat angles C4'-P-C4' energy: -10.895 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -220.316481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.316481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.316481 (E_RNA) where: Base-Base interactions energy: -147.615 where: short stacking energy: -63.693 Base-Backbone interact. energy: -0.013 local terms energy: -72.688955 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -10.246 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: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -219.828690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.828690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.828690 (E_RNA) where: Base-Base interactions energy: -153.943 where: short stacking energy: -67.082 Base-Backbone interact. energy: -0.008 local terms energy: -65.878234 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -11.876 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -18.302 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: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -219.214895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.214895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.214895 (E_RNA) where: Base-Base interactions energy: -145.544 where: short stacking energy: -61.561 Base-Backbone interact. energy: -0.001 local terms energy: -73.669364 where: bonds (distance) C4'-P energy: -13.691 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -19.719 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: 232 Temperature: 1.050000 Total energy: -204.770259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.770259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.770259 (E_RNA) where: Base-Base interactions energy: -141.576 where: short stacking energy: -57.983 Base-Backbone interact. energy: -0.002 local terms energy: -63.192399 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -10.566 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -9.693 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -208.859658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.859658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.859658 (E_RNA) where: Base-Base interactions energy: -138.031 where: short stacking energy: -52.159 Base-Backbone interact. energy: 0.142 local terms energy: -70.970752 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -16.605 flat angles P-C4'-P energy: -11.600 tors. eta vs tors. theta energy: -17.700 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: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -207.495501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.495501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.495501 (E_RNA) where: Base-Base interactions energy: -142.911 where: short stacking energy: -61.667 Base-Backbone interact. energy: -0.012 local terms energy: -64.571974 where: bonds (distance) C4'-P energy: -9.501 bonds (distance) P-C4' energy: -11.111 flat angles C4'-P-C4' energy: -13.818 flat angles P-C4'-P energy: -9.987 tors. eta vs tors. theta energy: -20.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -201.482895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.482895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.482895 (E_RNA) where: Base-Base interactions energy: -139.241 where: short stacking energy: -57.801 Base-Backbone interact. energy: -0.302 local terms energy: -61.939772 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -13.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -152.257154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.257154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.257154 (E_RNA) where: Base-Base interactions energy: -96.572 where: short stacking energy: -42.217 Base-Backbone interact. energy: -0.416 local terms energy: -55.268378 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -72.097205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.097205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.097205 (E_RNA) where: Base-Base interactions energy: -25.881 where: short stacking energy: -25.881 Base-Backbone interact. energy: -0.436 local terms energy: -45.780143 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -12.839 flat angles P-C4'-P energy: -6.013 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: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -69.457592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.457592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.457592 (E_RNA) where: Base-Base interactions energy: -29.260 where: short stacking energy: -29.260 Base-Backbone interact. energy: -0.293 local terms energy: -39.904288 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -218.858614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.858614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.858614 (E_RNA) where: Base-Base interactions energy: -143.903 where: short stacking energy: -66.286 Base-Backbone interact. energy: 0.085 local terms energy: -75.040387 where: bonds (distance) C4'-P energy: -15.309 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -11.736 tors. eta vs tors. theta energy: -19.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -228.094447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.094447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.094447 (E_RNA) where: Base-Base interactions energy: -151.406 where: short stacking energy: -62.856 Base-Backbone interact. energy: -0.793 local terms energy: -75.895203 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -15.472 flat angles P-C4'-P energy: -11.581 tors. eta vs tors. theta energy: -19.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -216.482661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.482661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.482661 (E_RNA) where: Base-Base interactions energy: -145.973 where: short stacking energy: -61.992 Base-Backbone interact. energy: -0.818 local terms energy: -69.691838 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -9.346 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: 4, replica: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -216.364440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.364440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.364440 (E_RNA) where: Base-Base interactions energy: -149.873 where: short stacking energy: -65.487 Base-Backbone interact. energy: -0.171 local terms energy: -66.320806 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -11.829 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: 5, replica: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -201.882918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.882918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.882918 (E_RNA) where: Base-Base interactions energy: -138.600 where: short stacking energy: -60.009 Base-Backbone interact. energy: -0.014 local terms energy: -63.269349 where: bonds (distance) C4'-P energy: -10.603 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -10.468 flat angles P-C4'-P energy: -9.635 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: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -202.381108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.381108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.381108 (E_RNA) where: Base-Base interactions energy: -138.921 where: short stacking energy: -56.358 Base-Backbone interact. energy: -0.329 local terms energy: -63.131373 where: bonds (distance) C4'-P energy: -9.774 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: -16.747 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: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -202.098929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.098929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.098929 (E_RNA) where: Base-Base interactions energy: -134.217 where: short stacking energy: -61.036 Base-Backbone interact. energy: -0.009 local terms energy: -67.873003 where: bonds (distance) C4'-P energy: -9.000 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -8.637 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: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -84.711134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.711134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.711134 (E_RNA) where: Base-Base interactions energy: -39.925 where: short stacking energy: -36.822 Base-Backbone interact. energy: -0.085 local terms energy: -44.701055 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -11.218 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -115.708364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.708364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.708364 (E_RNA) where: Base-Base interactions energy: -60.113 where: short stacking energy: -29.554 Base-Backbone interact. energy: -0.026 local terms energy: -55.569353 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -11.756 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -8.299 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: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -72.696759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.696759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.696759 (E_RNA) where: Base-Base interactions energy: -28.955 where: short stacking energy: -28.955 Base-Backbone interact. energy: -0.170 local terms energy: -43.572089 where: bonds (distance) C4'-P energy: -5.771 bonds (distance) P-C4' energy: -10.985 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -10.890 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: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -223.214576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.214576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.214576 (E_RNA) where: Base-Base interactions energy: -149.315 where: short stacking energy: -61.411 Base-Backbone interact. energy: -0.142 local terms energy: -73.757524 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -15.072 flat angles P-C4'-P energy: -10.828 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: 2, replica: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -209.358102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.358102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.358102 (E_RNA) where: Base-Base interactions energy: -141.127 where: short stacking energy: -58.684 Base-Backbone interact. energy: -0.839 local terms energy: -67.391899 where: bonds (distance) C4'-P energy: -10.723 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -11.415 tors. eta vs tors. theta energy: -13.216 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: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -213.895490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.895490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.895490 (E_RNA) where: Base-Base interactions energy: -146.411 where: short stacking energy: -63.310 Base-Backbone interact. energy: -0.065 local terms energy: -67.419727 where: bonds (distance) C4'-P energy: -11.749 bonds (distance) P-C4' energy: -14.916 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -19.579 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: 234 Temperature: 1.050000 Total energy: -214.348085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.348085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.348085 (E_RNA) where: Base-Base interactions energy: -145.549 where: short stacking energy: -68.301 Base-Backbone interact. energy: -0.034 local terms energy: -68.764267 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -11.032 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -19.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -205.008614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.008614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.008614 (E_RNA) where: Base-Base interactions energy: -139.469 where: short stacking energy: -61.571 Base-Backbone interact. energy: -0.243 local terms energy: -65.296719 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -12.073 tors. eta vs tors. theta energy: -16.230 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: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -202.510501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.510501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.510501 (E_RNA) where: Base-Base interactions energy: -135.101 where: short stacking energy: -56.094 Base-Backbone interact. energy: -0.168 local terms energy: -67.241950 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -9.480 tors. eta vs tors. theta energy: -17.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -207.716654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.716654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.716654 (E_RNA) where: Base-Base interactions energy: -142.009 where: short stacking energy: -61.827 Base-Backbone interact. energy: -0.355 local terms energy: -65.352559 where: bonds (distance) C4'-P energy: -10.715 bonds (distance) P-C4' energy: -14.766 flat angles C4'-P-C4' energy: -15.696 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -78.711021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.711021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.711021 (E_RNA) where: Base-Base interactions energy: -31.614 where: short stacking energy: -31.614 Base-Backbone interact. energy: -0.102 local terms energy: -46.994652 where: bonds (distance) C4'-P energy: -9.787 bonds (distance) P-C4' energy: -8.598 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -10.809 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -112.151335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.151335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.151335 (E_RNA) where: Base-Base interactions energy: -66.420 where: short stacking energy: -32.495 Base-Backbone interact. energy: -0.218 local terms energy: -45.513582 where: bonds (distance) C4'-P energy: -12.543 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -9.739 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -0.476 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: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -73.231947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.231947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.231947 (E_RNA) where: Base-Base interactions energy: -25.928 where: short stacking energy: -25.928 Base-Backbone interact. energy: -0.169 local terms energy: -47.134779 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -10.406 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -221.076838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.076838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.076838 (E_RNA) where: Base-Base interactions energy: -150.394 where: short stacking energy: -63.344 Base-Backbone interact. energy: -0.063 local terms energy: -70.619290 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -11.840 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -10.393 tors. eta vs tors. theta energy: -20.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -214.789578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.789578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.789578 (E_RNA) where: Base-Base interactions energy: -148.877 where: short stacking energy: -55.401 Base-Backbone interact. energy: -0.414 local terms energy: -65.498708 where: bonds (distance) C4'-P energy: -16.423 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -15.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -215.738751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.738751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.738751 (E_RNA) where: Base-Base interactions energy: -144.935 where: short stacking energy: -61.103 Base-Backbone interact. energy: -0.220 local terms energy: -70.583015 where: bonds (distance) C4'-P energy: -14.065 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -11.088 flat angles P-C4'-P energy: -9.718 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: 4, replica: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -211.013565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.013565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.013565 (E_RNA) where: Base-Base interactions energy: -142.600 where: short stacking energy: -60.608 Base-Backbone interact. energy: -0.126 local terms energy: -68.286965 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -13.990 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -15.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -192.855472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.855472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.855472 (E_RNA) where: Base-Base interactions energy: -132.500 where: short stacking energy: -55.119 Base-Backbone interact. energy: -0.018 local terms energy: -60.337464 where: bonds (distance) C4'-P energy: -8.659 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -5.878 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: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -200.883701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.883701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.883701 (E_RNA) where: Base-Base interactions energy: -138.382 where: short stacking energy: -55.925 Base-Backbone interact. energy: -0.118 local terms energy: -62.384225 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -10.394 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: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -205.057147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.057147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.057147 (E_RNA) where: Base-Base interactions energy: -146.725 where: short stacking energy: -61.632 Base-Backbone interact. energy: -0.463 local terms energy: -57.869729 where: bonds (distance) C4'-P energy: -6.099 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -15.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -141.422706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.422706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.422706 (E_RNA) where: Base-Base interactions energy: -93.923 where: short stacking energy: -32.955 Base-Backbone interact. energy: -0.849 local terms energy: -46.650551 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -10.844 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -8.574 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: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -81.604689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.604689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.604689 (E_RNA) where: Base-Base interactions energy: -33.040 where: short stacking energy: -30.242 Base-Backbone interact. energy: 0.110 local terms energy: -48.673828 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -9.899 flat angles P-C4'-P energy: -4.343 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: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -68.378900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.378900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.378900 (E_RNA) where: Base-Base interactions energy: -27.350 where: short stacking energy: -26.948 Base-Backbone interact. energy: 0.178 local terms energy: -41.206949 where: bonds (distance) C4'-P energy: -12.044 bonds (distance) P-C4' energy: -7.431 flat angles C4'-P-C4' energy: -10.386 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -2.449 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: 9 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -220.248715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.248715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.248715 (E_RNA) where: Base-Base interactions energy: -151.024 where: short stacking energy: -73.048 Base-Backbone interact. energy: -0.021 local terms energy: -69.204197 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -19.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -217.922974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.922974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.922974 (E_RNA) where: Base-Base interactions energy: -147.983 where: short stacking energy: -69.377 Base-Backbone interact. energy: -0.253 local terms energy: -69.686690 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -7.805 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: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -214.453567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.453567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.453567 (E_RNA) where: Base-Base interactions energy: -140.987 where: short stacking energy: -62.465 Base-Backbone interact. energy: -0.601 local terms energy: -72.865066 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -12.329 tors. eta vs tors. theta energy: -18.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -211.551963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.551963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.551963 (E_RNA) where: Base-Base interactions energy: -141.013 where: short stacking energy: -63.223 Base-Backbone interact. energy: -0.010 local terms energy: -70.529581 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -15.098 flat angles C4'-P-C4' energy: -15.018 flat angles P-C4'-P energy: -9.320 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: 236 Temperature: 1.100000 Total energy: -210.781878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.781878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.781878 (E_RNA) where: Base-Base interactions energy: -147.742 where: short stacking energy: -63.291 Base-Backbone interact. energy: -0.646 local terms energy: -62.393408 where: bonds (distance) C4'-P energy: -9.816 bonds (distance) P-C4' energy: -11.638 flat angles C4'-P-C4' energy: -14.696 flat angles P-C4'-P energy: -7.444 tors. eta vs tors. theta energy: -18.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -207.768496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.768496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.768496 (E_RNA) where: Base-Base interactions energy: -137.849 where: short stacking energy: -58.869 Base-Backbone interact. energy: -0.002 local terms energy: -69.917463 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -12.773 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -11.931 tors. eta vs tors. theta energy: -18.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -194.394193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.394193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.394193 (E_RNA) where: Base-Base interactions energy: -140.061 where: short stacking energy: -57.517 Base-Backbone interact. energy: -0.160 local terms energy: -54.173256 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -6.086 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: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -157.358289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.358289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.358289 (E_RNA) where: Base-Base interactions energy: -101.624 where: short stacking energy: -45.339 Base-Backbone interact. energy: -0.436 local terms energy: -55.297654 where: bonds (distance) C4'-P energy: -12.529 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -11.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -78.592343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.592343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.592343 (E_RNA) where: Base-Base interactions energy: -29.941 where: short stacking energy: -29.941 Base-Backbone interact. energy: 0.512 local terms energy: -49.162813 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -10.181 flat angles P-C4'-P energy: -9.456 tors. eta vs tors. theta energy: -2.386 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: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -75.751714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.751714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.751714 (E_RNA) where: Base-Base interactions energy: -28.230 where: short stacking energy: -28.230 Base-Backbone interact. energy: -0.009 local terms energy: -47.512943 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -11.950 flat angles P-C4'-P energy: -8.255 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: 9 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -216.996409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.996409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.996409 (E_RNA) where: Base-Base interactions energy: -149.651 where: short stacking energy: -60.032 Base-Backbone interact. energy: -0.066 local terms energy: -67.278774 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -9.990 flat angles P-C4'-P energy: -11.594 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: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -217.694374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.694374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.694374 (E_RNA) where: Base-Base interactions energy: -146.150 where: short stacking energy: -67.794 Base-Backbone interact. energy: -0.202 local terms energy: -71.342053 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -14.341 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -12.112 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: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -210.986764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.986764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.986764 (E_RNA) where: Base-Base interactions energy: -143.870 where: short stacking energy: -63.577 Base-Backbone interact. energy: -0.693 local terms energy: -66.423484 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -10.455 flat angles C4'-P-C4' energy: -15.241 flat angles P-C4'-P energy: -8.190 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: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -207.010962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.010962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.010962 (E_RNA) where: Base-Base interactions energy: -139.416 where: short stacking energy: -61.280 Base-Backbone interact. energy: -0.096 local terms energy: -67.499285 where: bonds (distance) C4'-P energy: -13.613 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -11.862 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: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -204.855872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.855872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.855872 (E_RNA) where: Base-Base interactions energy: -142.693 where: short stacking energy: -59.430 Base-Backbone interact. energy: -0.474 local terms energy: -61.689167 where: bonds (distance) C4'-P energy: -15.033 bonds (distance) P-C4' energy: -8.332 flat angles C4'-P-C4' energy: -10.407 flat angles P-C4'-P energy: -13.311 tors. eta vs tors. theta energy: -14.607 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: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -195.797408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.797408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.797408 (E_RNA) where: Base-Base interactions energy: -132.094 where: short stacking energy: -49.519 Base-Backbone interact. energy: -0.092 local terms energy: -63.611789 where: bonds (distance) C4'-P energy: -16.253 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -12.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -202.127471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.127471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.127471 (E_RNA) where: Base-Base interactions energy: -137.545 where: short stacking energy: -60.320 Base-Backbone interact. energy: -0.009 local terms energy: -64.573584 where: bonds (distance) C4'-P energy: -15.455 bonds (distance) P-C4' energy: -7.190 flat angles C4'-P-C4' energy: -15.114 flat angles P-C4'-P energy: -8.602 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: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -151.172094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.172094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.172094 (E_RNA) where: Base-Base interactions energy: -99.571 where: short stacking energy: -44.904 Base-Backbone interact. energy: -0.155 local terms energy: -51.446815 where: bonds (distance) C4'-P energy: -7.659 bonds (distance) P-C4' energy: -8.961 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -13.431 tors. eta vs tors. theta energy: -9.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -85.504406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.504406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.504406 (E_RNA) where: Base-Base interactions energy: -32.355 where: short stacking energy: -32.355 Base-Backbone interact. energy: -0.016 local terms energy: -53.133753 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -12.861 flat angles C4'-P-C4' energy: -11.995 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -8.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -78.753365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.753365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.753365 (E_RNA) where: Base-Base interactions energy: -33.553 where: short stacking energy: -29.102 Base-Backbone interact. energy: -1.179 local terms energy: -44.021174 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -11.924 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -8.198 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -220.086064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.086064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.086064 (E_RNA) where: Base-Base interactions energy: -150.301 where: short stacking energy: -63.626 Base-Backbone interact. energy: -0.035 local terms energy: -69.750191 where: bonds (distance) C4'-P energy: -16.353 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -17.675 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: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -219.201076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.201076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.201076 (E_RNA) where: Base-Base interactions energy: -142.894 where: short stacking energy: -69.536 Base-Backbone interact. energy: 0.075 local terms energy: -76.382982 where: bonds (distance) C4'-P energy: -16.399 bonds (distance) P-C4' energy: -14.503 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -11.395 tors. eta vs tors. theta energy: -19.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -215.596339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.596339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.596339 (E_RNA) where: Base-Base interactions energy: -148.346 where: short stacking energy: -65.675 Base-Backbone interact. energy: -0.934 local terms energy: -66.315696 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -14.435 flat angles P-C4'-P energy: -7.202 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: 4, replica: 5 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -208.138235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.138235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.138235 (E_RNA) where: Base-Base interactions energy: -143.351 where: short stacking energy: -61.392 Base-Backbone interact. energy: -0.054 local terms energy: -64.733020 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -14.156 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: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -202.847781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.847781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.847781 (E_RNA) where: Base-Base interactions energy: -138.147 where: short stacking energy: -58.090 Base-Backbone interact. energy: -0.035 local terms energy: -64.665073 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -13.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -212.653045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.653045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.653045 (E_RNA) where: Base-Base interactions energy: -148.396 where: short stacking energy: -67.025 Base-Backbone interact. energy: -0.045 local terms energy: -64.211606 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -21.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -167.992546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.992546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.992546 (E_RNA) where: Base-Base interactions energy: -106.895 where: short stacking energy: -51.886 Base-Backbone interact. energy: -0.070 local terms energy: -61.027816 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -12.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -207.858049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.858049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.858049 (E_RNA) where: Base-Base interactions energy: -144.603 where: short stacking energy: -59.098 Base-Backbone interact. energy: -0.308 local terms energy: -62.947242 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -9.755 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: 9, replica: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -71.571943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.571943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.571943 (E_RNA) where: Base-Base interactions energy: -22.680 where: short stacking energy: -19.877 Base-Backbone interact. energy: -0.205 local terms energy: -48.686705 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -14.443 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -74.115456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.115456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.115456 (E_RNA) where: Base-Base interactions energy: -28.383 where: short stacking energy: -26.758 Base-Backbone interact. energy: -0.465 local terms energy: -45.267479 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -9.609 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -3.531 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: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -222.575486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.575486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.575486 (E_RNA) where: Base-Base interactions energy: -151.540 where: short stacking energy: -66.336 Base-Backbone interact. energy: -0.293 local terms energy: -70.741975 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -22.064 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: 2, replica: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -218.097725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.097725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.097725 (E_RNA) where: Base-Base interactions energy: -145.492 where: short stacking energy: -65.442 Base-Backbone interact. energy: -0.012 local terms energy: -72.594150 where: bonds (distance) C4'-P energy: -15.761 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -11.633 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -20.526 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: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -213.663085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.663085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.663085 (E_RNA) where: Base-Base interactions energy: -155.402 where: short stacking energy: -63.003 Base-Backbone interact. energy: -0.626 local terms energy: -57.634688 where: bonds (distance) C4'-P energy: -10.659 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -14.846 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -13.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -217.446066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.446066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.446066 (E_RNA) where: Base-Base interactions energy: -143.609 where: short stacking energy: -60.769 Base-Backbone interact. energy: -0.002 local terms energy: -73.835829 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -15.099 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -19.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -207.547411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.547411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.547411 (E_RNA) where: Base-Base interactions energy: -138.350 where: short stacking energy: -55.552 Base-Backbone interact. energy: -0.213 local terms energy: -68.984280 where: bonds (distance) C4'-P energy: -15.232 bonds (distance) P-C4' energy: -15.067 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -9.272 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: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -208.107533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.107533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.107533 (E_RNA) where: Base-Base interactions energy: -145.691 where: short stacking energy: -69.821 Base-Backbone interact. energy: -0.631 local terms energy: -61.785394 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -20.349 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: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -149.208965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.208965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.208965 (E_RNA) where: Base-Base interactions energy: -93.989 where: short stacking energy: -44.135 Base-Backbone interact. energy: -0.327 local terms energy: -54.893255 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -8.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -190.842964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.842964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.842964 (E_RNA) where: Base-Base interactions energy: -125.669 where: short stacking energy: -52.403 Base-Backbone interact. energy: -0.191 local terms energy: -64.982862 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -15.242 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -13.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -78.950684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.950684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.950684 (E_RNA) where: Base-Base interactions energy: -28.677 where: short stacking energy: -28.677 Base-Backbone interact. energy: 0.451 local terms energy: -50.724624 where: bonds (distance) C4'-P energy: -9.398 bonds (distance) P-C4' energy: -16.535 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -7.795 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: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -70.512485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.512485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.512485 (E_RNA) where: Base-Base interactions energy: -27.963 where: short stacking energy: -27.784 Base-Backbone interact. energy: -0.525 local terms energy: -42.024332 where: bonds (distance) C4'-P energy: -7.140 bonds (distance) P-C4' energy: -10.478 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -217.866613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.866613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.866613 (E_RNA) where: Base-Base interactions energy: -148.877 where: short stacking energy: -61.795 Base-Backbone interact. energy: -0.102 local terms energy: -68.887629 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -18.303 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: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -221.737603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.737603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.737603 (E_RNA) where: Base-Base interactions energy: -145.954 where: short stacking energy: -66.085 Base-Backbone interact. energy: -0.738 local terms energy: -75.045949 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -15.102 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -12.256 tors. eta vs tors. theta energy: -20.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -206.099683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.099683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.099683 (E_RNA) where: Base-Base interactions energy: -144.855 where: short stacking energy: -56.283 Base-Backbone interact. energy: -0.102 local terms energy: -61.143119 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -15.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -204.422996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.422996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.422996 (E_RNA) where: Base-Base interactions energy: -139.017 where: short stacking energy: -60.464 Base-Backbone interact. energy: -0.066 local terms energy: -65.340278 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -9.958 tors. eta vs tors. theta energy: -16.075 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: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -210.896145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.896145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.896145 (E_RNA) where: Base-Base interactions energy: -145.145 where: short stacking energy: -63.330 Base-Backbone interact. energy: -2.195 local terms energy: -63.556164 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -8.630 tors. eta vs tors. theta energy: -14.622 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: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -202.072763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.072763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.072763 (E_RNA) where: Base-Base interactions energy: -136.669 where: short stacking energy: -54.675 Base-Backbone interact. energy: -0.110 local terms energy: -65.293590 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -12.421 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -10.309 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: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -206.143432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.143432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.143432 (E_RNA) where: Base-Base interactions energy: -139.238 where: short stacking energy: -58.876 Base-Backbone interact. energy: 0.046 local terms energy: -66.951567 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -14.722 flat angles C4'-P-C4' energy: -15.242 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -13.184 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: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -157.923363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.923363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.923363 (E_RNA) where: Base-Base interactions energy: -93.406 where: short stacking energy: -44.708 Base-Backbone interact. energy: -1.170 local terms energy: -63.347672 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -12.869 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -10.156 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: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -79.529483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.529483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.529483 (E_RNA) where: Base-Base interactions energy: -35.369 where: short stacking energy: -30.480 Base-Backbone interact. energy: -0.114 local terms energy: -44.047091 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -1.240 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: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -79.320538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.320538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.320538 (E_RNA) where: Base-Base interactions energy: -37.587 where: short stacking energy: -37.587 Base-Backbone interact. energy: 1.244 local terms energy: -42.977227 where: bonds (distance) C4'-P energy: -10.926 bonds (distance) P-C4' energy: -15.543 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -6.594 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: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -224.660707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.660707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.660707 (E_RNA) where: Base-Base interactions energy: -152.558 where: short stacking energy: -67.715 Base-Backbone interact. energy: -0.097 local terms energy: -72.004989 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -11.321 tors. eta vs tors. theta energy: -18.001 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: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -204.971283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.971283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.971283 (E_RNA) where: Base-Base interactions energy: -135.457 where: short stacking energy: -50.311 Base-Backbone interact. energy: -0.701 local terms energy: -68.813477 where: bonds (distance) C4'-P energy: -16.390 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -15.323 flat angles P-C4'-P energy: -10.410 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: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -215.630226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.630226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.630226 (E_RNA) where: Base-Base interactions energy: -142.129 where: short stacking energy: -63.817 Base-Backbone interact. energy: -0.088 local terms energy: -73.413321 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -16.159 flat angles P-C4'-P energy: -7.795 tors. eta vs tors. theta energy: -20.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -205.156453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.156453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.156453 (E_RNA) where: Base-Base interactions energy: -139.614 where: short stacking energy: -55.494 Base-Backbone interact. energy: -0.252 local terms energy: -65.290238 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -11.767 tors. eta vs tors. theta energy: -14.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -208.388306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.388306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.388306 (E_RNA) where: Base-Base interactions energy: -144.592 where: short stacking energy: -60.371 Base-Backbone interact. energy: -0.001 local terms energy: -63.795456 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -12.491 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -10.514 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: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -202.364640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.364640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.364640 (E_RNA) where: Base-Base interactions energy: -142.573 where: short stacking energy: -51.658 Base-Backbone interact. energy: -0.057 local terms energy: -59.733866 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -10.381 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -7.538 tors. eta vs tors. theta energy: -13.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -198.189866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.189866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.189866 (E_RNA) where: Base-Base interactions energy: -134.804 where: short stacking energy: -55.636 Base-Backbone interact. energy: -0.523 local terms energy: -62.862665 where: bonds (distance) C4'-P energy: -9.633 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -16.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -85.022331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.022331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.022331 (E_RNA) where: Base-Base interactions energy: -42.055 where: short stacking energy: -28.016 Base-Backbone interact. energy: 1.054 local terms energy: -44.020956 where: bonds (distance) C4'-P energy: -6.778 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -144.239903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.239903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.239903 (E_RNA) where: Base-Base interactions energy: -90.270 where: short stacking energy: -38.836 Base-Backbone interact. energy: -0.129 local terms energy: -53.841061 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -10.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -63.417494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.417494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.417494 (E_RNA) where: Base-Base interactions energy: -21.785 where: short stacking energy: -18.857 Base-Backbone interact. energy: 0.170 local terms energy: -41.802586 where: bonds (distance) C4'-P energy: -10.948 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -6.960 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: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -215.297690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.297690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.297690 (E_RNA) where: Base-Base interactions energy: -152.824 where: short stacking energy: -59.648 Base-Backbone interact. energy: -0.234 local terms energy: -62.239704 where: bonds (distance) C4'-P energy: -9.460 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -10.745 tors. eta vs tors. theta energy: -14.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -217.731362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.731362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.731362 (E_RNA) where: Base-Base interactions energy: -152.714 where: short stacking energy: -68.815 Base-Backbone interact. energy: -0.039 local terms energy: -64.977994 where: bonds (distance) C4'-P energy: -12.351 bonds (distance) P-C4' energy: -11.455 flat angles C4'-P-C4' energy: -14.608 flat angles P-C4'-P energy: -8.807 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: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -220.589133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.589133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.589133 (E_RNA) where: Base-Base interactions energy: -147.192 where: short stacking energy: -65.937 Base-Backbone interact. energy: -0.613 local terms energy: -72.784340 where: bonds (distance) C4'-P energy: -15.695 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -9.906 tors. eta vs tors. theta energy: -19.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -203.890535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.890535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.890535 (E_RNA) where: Base-Base interactions energy: -140.627 where: short stacking energy: -55.423 Base-Backbone interact. energy: -0.094 local terms energy: -63.169665 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -12.022 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: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -208.145279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.145279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.145279 (E_RNA) where: Base-Base interactions energy: -138.200 where: short stacking energy: -60.705 Base-Backbone interact. energy: -0.000 local terms energy: -69.945609 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -14.012 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -17.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -200.252212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.252212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.252212 (E_RNA) where: Base-Base interactions energy: -136.821 where: short stacking energy: -53.659 Base-Backbone interact. energy: 0.575 local terms energy: -64.006394 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -8.926 flat angles P-C4'-P energy: -11.007 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: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -193.667536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.667536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.667536 (E_RNA) where: Base-Base interactions energy: -136.601 where: short stacking energy: -57.707 Base-Backbone interact. energy: -0.080 local terms energy: -56.986264 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -13.798 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -5.101 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: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -84.158480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.158480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.158480 (E_RNA) where: Base-Base interactions energy: -31.227 where: short stacking energy: -19.974 Base-Backbone interact. energy: 0.799 local terms energy: -53.730062 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.111 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -4.157 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: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -97.897437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.897437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.897437 (E_RNA) where: Base-Base interactions energy: -55.148 where: short stacking energy: -30.967 Base-Backbone interact. energy: -0.191 local terms energy: -42.558564 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -7.176 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -6.014 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: 10, replica: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -147.351072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.351072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.351072 (E_RNA) where: Base-Base interactions energy: -97.978 where: short stacking energy: -43.201 Base-Backbone interact. energy: -0.065 local terms energy: -49.307468 where: bonds (distance) C4'-P energy: -9.849 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -8.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -220.516641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.516641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.516641 (E_RNA) where: Base-Base interactions energy: -147.126 where: short stacking energy: -63.354 Base-Backbone interact. energy: -0.282 local terms energy: -73.109167 where: bonds (distance) C4'-P energy: -15.464 bonds (distance) P-C4' energy: -14.236 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -8.449 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: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -217.268026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.268026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.268026 (E_RNA) where: Base-Base interactions energy: -149.226 where: short stacking energy: -63.309 Base-Backbone interact. energy: -0.089 local terms energy: -67.953312 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -12.859 flat angles C4'-P-C4' energy: -14.132 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -19.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -214.273153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.273153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.273153 (E_RNA) where: Base-Base interactions energy: -143.591 where: short stacking energy: -63.930 Base-Backbone interact. energy: -0.787 local terms energy: -69.895159 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -11.549 flat angles C4'-P-C4' energy: -15.404 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -18.996 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: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -215.541997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.541997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.541997 (E_RNA) where: Base-Base interactions energy: -144.259 where: short stacking energy: -59.351 Base-Backbone interact. energy: -0.214 local terms energy: -71.069320 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -16.366 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -17.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -199.711469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.711469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.711469 (E_RNA) where: Base-Base interactions energy: -140.892 where: short stacking energy: -57.281 Base-Backbone interact. energy: -0.383 local terms energy: -58.436711 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -9.822 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -16.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -200.694670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.694670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.694670 (E_RNA) where: Base-Base interactions energy: -138.758 where: short stacking energy: -62.658 Base-Backbone interact. energy: -0.545 local terms energy: -61.391786 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -8.782 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -11.515 tors. eta vs tors. theta energy: -14.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -198.748296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.748296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.748296 (E_RNA) where: Base-Base interactions energy: -139.065 where: short stacking energy: -52.386 Base-Backbone interact. energy: -0.368 local terms energy: -59.314809 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -13.672 flat angles P-C4'-P energy: -7.102 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: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -123.640572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.640572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.640572 (E_RNA) where: Base-Base interactions energy: -70.394 where: short stacking energy: -46.187 Base-Backbone interact. energy: -0.003 local terms energy: -53.243858 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -11.130 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -130.230417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.230417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.230417 (E_RNA) where: Base-Base interactions energy: -79.608 where: short stacking energy: -29.650 Base-Backbone interact. energy: -0.340 local terms energy: -50.282508 where: bonds (distance) C4'-P energy: -10.173 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -9.433 tors. eta vs tors. theta energy: -6.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -134.590407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.590407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.590407 (E_RNA) where: Base-Base interactions energy: -89.954 where: short stacking energy: -39.062 Base-Backbone interact. energy: -0.717 local terms energy: -43.920010 where: bonds (distance) C4'-P energy: -8.845 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -9.316 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: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -227.811599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.811599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.811599 (E_RNA) where: Base-Base interactions energy: -153.191 where: short stacking energy: -69.102 Base-Backbone interact. energy: -0.011 local terms energy: -74.609452 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -8.332 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: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -221.629754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.629754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.629754 (E_RNA) where: Base-Base interactions energy: -148.063 where: short stacking energy: -69.180 Base-Backbone interact. energy: -0.016 local terms energy: -73.550205 where: bonds (distance) C4'-P energy: -15.178 bonds (distance) P-C4' energy: -12.082 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -12.174 tors. eta vs tors. theta energy: -19.212 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: 244 Temperature: 1.000000 Total energy: -209.640266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.640266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.640266 (E_RNA) where: Base-Base interactions energy: -145.189 where: short stacking energy: -60.196 Base-Backbone interact. energy: -0.596 local terms energy: -63.854979 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -13.587 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -14.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -213.269499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.269499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.269499 (E_RNA) where: Base-Base interactions energy: -146.902 where: short stacking energy: -63.702 Base-Backbone interact. energy: -0.003 local terms energy: -66.365249 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -16.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -205.861987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.861987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.861987 (E_RNA) where: Base-Base interactions energy: -141.058 where: short stacking energy: -59.667 Base-Backbone interact. energy: -0.574 local terms energy: -64.229504 where: bonds (distance) C4'-P energy: -10.872 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -19.078 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: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -194.492839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.492839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.492839 (E_RNA) where: Base-Base interactions energy: -134.542 where: short stacking energy: -56.441 Base-Backbone interact. energy: -0.060 local terms energy: -59.890350 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -10.201 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -12.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -205.874855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.874855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.874855 (E_RNA) where: Base-Base interactions energy: -137.220 where: short stacking energy: -57.500 Base-Backbone interact. energy: -0.239 local terms energy: -68.415459 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -14.587 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -16.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -115.045278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.045278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.045278 (E_RNA) where: Base-Base interactions energy: -64.483 where: short stacking energy: -27.407 Base-Backbone interact. energy: -0.660 local terms energy: -49.902383 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -184.404705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.404705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.404705 (E_RNA) where: Base-Base interactions energy: -130.156 where: short stacking energy: -55.237 Base-Backbone interact. energy: -0.207 local terms energy: -54.041736 where: bonds (distance) C4'-P energy: -9.614 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -9.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -109.490452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.490452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.490452 (E_RNA) where: Base-Base interactions energy: -65.991 where: short stacking energy: -36.642 Base-Backbone interact. energy: -0.438 local terms energy: -43.061757 where: bonds (distance) C4'-P energy: -9.729 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -4.313 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: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -217.310148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.310148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.310148 (E_RNA) where: Base-Base interactions energy: -152.082 where: short stacking energy: -68.807 Base-Backbone interact. energy: -0.010 local terms energy: -65.218039 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -10.859 flat angles C4'-P-C4' energy: -11.702 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -18.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -215.865481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.865481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.865481 (E_RNA) where: Base-Base interactions energy: -143.092 where: short stacking energy: -62.279 Base-Backbone interact. energy: -0.611 local terms energy: -72.162774 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -10.063 tors. eta vs tors. theta energy: -15.634 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: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -210.083774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.083774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.083774 (E_RNA) where: Base-Base interactions energy: -143.533 where: short stacking energy: -58.429 Base-Backbone interact. energy: -0.906 local terms energy: -65.645304 where: bonds (distance) C4'-P energy: -12.660 bonds (distance) P-C4' energy: -11.872 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -17.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -206.280397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.280397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.280397 (E_RNA) where: Base-Base interactions energy: -139.671 where: short stacking energy: -65.583 Base-Backbone interact. energy: -0.607 local terms energy: -66.002497 where: bonds (distance) C4'-P energy: -10.315 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -15.504 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -17.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -206.004381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.004381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.004381 (E_RNA) where: Base-Base interactions energy: -135.223 where: short stacking energy: -58.730 Base-Backbone interact. energy: -0.183 local terms energy: -70.598235 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -18.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -205.497323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.497323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.497323 (E_RNA) where: Base-Base interactions energy: -133.143 where: short stacking energy: -56.298 Base-Backbone interact. energy: -0.114 local terms energy: -72.240346 where: bonds (distance) C4'-P energy: -12.929 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -13.771 tors. eta vs tors. theta energy: -17.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -196.112353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.112353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.112353 (E_RNA) where: Base-Base interactions energy: -130.159 where: short stacking energy: -52.159 Base-Backbone interact. energy: -0.075 local terms energy: -65.878022 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -16.383 flat angles C4'-P-C4' energy: -14.513 flat angles P-C4'-P energy: -11.872 tors. eta vs tors. theta energy: -15.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -188.379805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.379805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.379805 (E_RNA) where: Base-Base interactions energy: -136.079 where: short stacking energy: -52.774 Base-Backbone interact. energy: -0.193 local terms energy: -52.107776 where: bonds (distance) C4'-P energy: -10.955 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -70.614263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.614263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.614263 (E_RNA) where: Base-Base interactions energy: -31.205 where: short stacking energy: -31.205 Base-Backbone interact. energy: -0.081 local terms energy: -39.328098 where: bonds (distance) C4'-P energy: -10.561 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -8.871 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -111.873849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.873849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.873849 (E_RNA) where: Base-Base interactions energy: -62.715 where: short stacking energy: -33.177 Base-Backbone interact. energy: -0.129 local terms energy: -49.030395 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -13.811 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -4.296 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: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -219.483771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.483771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.483771 (E_RNA) where: Base-Base interactions energy: -148.446 where: short stacking energy: -65.520 Base-Backbone interact. energy: -0.158 local terms energy: -70.879545 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -14.599 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -17.781 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: 4 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -217.823791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.823791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.823791 (E_RNA) where: Base-Base interactions energy: -150.518 where: short stacking energy: -64.877 Base-Backbone interact. energy: -0.001 local terms energy: -67.304435 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -12.608 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -21.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -213.936946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.936946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.936946 (E_RNA) where: Base-Base interactions energy: -140.131 where: short stacking energy: -59.524 Base-Backbone interact. energy: -0.667 local terms energy: -73.138801 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -16.120 flat angles P-C4'-P energy: -11.104 tors. eta vs tors. theta energy: -16.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -212.854264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.854264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.854264 (E_RNA) where: Base-Base interactions energy: -147.287 where: short stacking energy: -63.980 Base-Backbone interact. energy: -0.471 local terms energy: -65.096021 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -10.424 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: 5, replica: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -207.730276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.730276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.730276 (E_RNA) where: Base-Base interactions energy: -140.039 where: short stacking energy: -62.220 Base-Backbone interact. energy: -0.458 local terms energy: -67.233502 where: bonds (distance) C4'-P energy: -12.374 bonds (distance) P-C4' energy: -15.285 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -21.176 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: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -203.684830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.684830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.684830 (E_RNA) where: Base-Base interactions energy: -140.303 where: short stacking energy: -55.716 Base-Backbone interact. energy: -0.161 local terms energy: -63.220940 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -11.338 flat angles C4'-P-C4' energy: -13.314 flat angles P-C4'-P energy: -10.578 tors. eta vs tors. theta energy: -14.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -157.115719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.115719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.115719 (E_RNA) where: Base-Base interactions energy: -104.204 where: short stacking energy: -41.179 Base-Backbone interact. energy: -0.399 local terms energy: -52.513203 where: bonds (distance) C4'-P energy: -9.470 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -8.375 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: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -194.379051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.379051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.379051 (E_RNA) where: Base-Base interactions energy: -135.540 where: short stacking energy: -53.998 Base-Backbone interact. energy: -0.402 local terms energy: -58.436995 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -4.725 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: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -79.040610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.040610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.040610 (E_RNA) where: Base-Base interactions energy: -40.634 where: short stacking energy: -33.428 Base-Backbone interact. energy: -0.187 local terms energy: -38.219166 where: bonds (distance) C4'-P energy: -7.751 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -10.302 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -70.771923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.771923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.771923 (E_RNA) where: Base-Base interactions energy: -28.814 where: short stacking energy: -28.814 Base-Backbone interact. energy: -0.173 local terms energy: -41.785586 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -12.864 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -5.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -222.938368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.938368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.938368 (E_RNA) where: Base-Base interactions energy: -152.639 where: short stacking energy: -67.457 Base-Backbone interact. energy: 0.179 local terms energy: -70.478008 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -13.640 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -19.262 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: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -222.550734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.550734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.550734 (E_RNA) where: Base-Base interactions energy: -147.389 where: short stacking energy: -69.466 Base-Backbone interact. energy: -0.173 local terms energy: -74.988016 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -14.538 flat angles P-C4'-P energy: -10.489 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: 3, replica: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -218.033491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.033491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.033491 (E_RNA) where: Base-Base interactions energy: -144.706 where: short stacking energy: -61.080 Base-Backbone interact. energy: -3.708 local terms energy: -69.619356 where: bonds (distance) C4'-P energy: -10.938 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -15.754 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -21.147 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: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -209.463788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.463788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.463788 (E_RNA) where: Base-Base interactions energy: -141.874 where: short stacking energy: -59.181 Base-Backbone interact. energy: -0.592 local terms energy: -66.997692 where: bonds (distance) C4'-P energy: -11.489 bonds (distance) P-C4' energy: -15.236 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -9.331 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: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -210.053905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.053905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.053905 (E_RNA) where: Base-Base interactions energy: -134.762 where: short stacking energy: -63.631 Base-Backbone interact. energy: -0.044 local terms energy: -75.247873 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -12.665 flat angles P-C4'-P energy: -13.142 tors. eta vs tors. theta energy: -20.522 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: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -202.758414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.758414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.758414 (E_RNA) where: Base-Base interactions energy: -135.519 where: short stacking energy: -52.978 Base-Backbone interact. energy: -0.023 local terms energy: -67.216300 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -12.658 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -15.292 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: 247 Temperature: 1.200000 Total energy: -137.692682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.692682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.692682 (E_RNA) where: Base-Base interactions energy: -98.434 where: short stacking energy: -36.707 Base-Backbone interact. energy: 0.084 local terms energy: -39.342734 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -11.573 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -5.057 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: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -195.452674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.452674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.452674 (E_RNA) where: Base-Base interactions energy: -130.874 where: short stacking energy: -50.237 Base-Backbone interact. energy: -0.287 local terms energy: -64.291752 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -12.900 tors. eta vs tors. theta energy: -14.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -78.649840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.649840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.649840 (E_RNA) where: Base-Base interactions energy: -30.548 where: short stacking energy: -30.548 Base-Backbone interact. energy: 0.922 local terms energy: -49.024114 where: bonds (distance) C4'-P energy: -10.681 bonds (distance) P-C4' energy: -12.784 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -7.569 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: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -75.615219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.615219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.615219 (E_RNA) where: Base-Base interactions energy: -31.242 where: short stacking energy: -31.242 Base-Backbone interact. energy: -0.050 local terms energy: -44.322559 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -9.256 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -219.487266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.487266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.487266 (E_RNA) where: Base-Base interactions energy: -146.185 where: short stacking energy: -64.725 Base-Backbone interact. energy: -0.677 local terms energy: -72.625293 where: bonds (distance) C4'-P energy: -16.941 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -11.909 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: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -209.953408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.953408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.953408 (E_RNA) where: Base-Base interactions energy: -145.297 where: short stacking energy: -60.571 Base-Backbone interact. energy: -0.118 local terms energy: -64.537507 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -15.852 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: 4 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -221.223919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.223919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.223919 (E_RNA) where: Base-Base interactions energy: -153.004 where: short stacking energy: -66.877 Base-Backbone interact. energy: -0.268 local terms energy: -67.951509 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -11.841 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -17.786 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: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -216.768640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.768640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.768640 (E_RNA) where: Base-Base interactions energy: -145.790 where: short stacking energy: -63.903 Base-Backbone interact. energy: -0.175 local terms energy: -70.803556 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -15.120 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -18.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -201.661063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.661063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.661063 (E_RNA) where: Base-Base interactions energy: -131.522 where: short stacking energy: -51.671 Base-Backbone interact. energy: -0.851 local terms energy: -69.287580 where: bonds (distance) C4'-P energy: -15.429 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -13.121 flat angles P-C4'-P energy: -7.237 tors. eta vs tors. theta energy: -18.580 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: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -207.087878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.087878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.087878 (E_RNA) where: Base-Base interactions energy: -144.954 where: short stacking energy: -65.655 Base-Backbone interact. energy: -0.007 local terms energy: -62.127105 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -18.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -200.681864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.681864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.681864 (E_RNA) where: Base-Base interactions energy: -135.307 where: short stacking energy: -59.230 Base-Backbone interact. energy: -0.086 local terms energy: -65.288756 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -11.210 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -15.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -131.524079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.524079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.524079 (E_RNA) where: Base-Base interactions energy: -84.744 where: short stacking energy: -37.636 Base-Backbone interact. energy: -0.509 local terms energy: -46.271392 where: bonds (distance) C4'-P energy: -11.070 bonds (distance) P-C4' energy: -13.633 flat angles C4'-P-C4' energy: -10.863 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -105.179346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.179346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.179346 (E_RNA) where: Base-Base interactions energy: -58.400 where: short stacking energy: -32.234 Base-Backbone interact. energy: -1.252 local terms energy: -45.527386 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -8.897 flat angles P-C4'-P energy: -7.869 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: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -75.326046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.326046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.326046 (E_RNA) where: Base-Base interactions energy: -27.116 where: short stacking energy: -26.673 Base-Backbone interact. energy: -0.154 local terms energy: -48.056065 where: bonds (distance) C4'-P energy: -14.597 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -7.492 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: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -220.692697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.692697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.692697 (E_RNA) where: Base-Base interactions energy: -151.084 where: short stacking energy: -67.537 Base-Backbone interact. energy: -0.001 local terms energy: -69.607230 where: bonds (distance) C4'-P energy: -16.043 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -18.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -219.962543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.962543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.962543 (E_RNA) where: Base-Base interactions energy: -150.855 where: short stacking energy: -63.636 Base-Backbone interact. energy: -0.218 local terms energy: -68.889250 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -9.232 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -12.336 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: 3, replica: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -210.141190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.141190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.141190 (E_RNA) where: Base-Base interactions energy: -148.778 where: short stacking energy: -58.494 Base-Backbone interact. energy: -0.003 local terms energy: -61.360504 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -10.952 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -12.376 tors. eta vs tors. theta energy: -16.801 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: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -213.665686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.665686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.665686 (E_RNA) where: Base-Base interactions energy: -139.871 where: short stacking energy: -56.087 Base-Backbone interact. energy: -0.009 local terms energy: -73.785797 where: bonds (distance) C4'-P energy: -14.184 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -11.940 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: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -205.715638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.715638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.715638 (E_RNA) where: Base-Base interactions energy: -141.862 where: short stacking energy: -61.596 Base-Backbone interact. energy: -0.672 local terms energy: -63.181847 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -11.482 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -6.757 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: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -199.851727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.851727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.851727 (E_RNA) where: Base-Base interactions energy: -136.151 where: short stacking energy: -59.466 Base-Backbone interact. energy: -0.623 local terms energy: -63.077938 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -10.511 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -169.735384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.735384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.735384 (E_RNA) where: Base-Base interactions energy: -108.930 where: short stacking energy: -47.611 Base-Backbone interact. energy: -0.627 local terms energy: -60.178419 where: bonds (distance) C4'-P energy: -13.320 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -12.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -114.148873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.148873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.148873 (E_RNA) where: Base-Base interactions energy: -59.359 where: short stacking energy: -33.681 Base-Backbone interact. energy: -0.156 local terms energy: -54.633361 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -10.686 tors. eta vs tors. theta energy: -2.507 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: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -114.717340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.717340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.717340 (E_RNA) where: Base-Base interactions energy: -68.886 where: short stacking energy: -28.165 Base-Backbone interact. energy: -0.318 local terms energy: -45.513474 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -10.963 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -5.929 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: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -70.599616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.599616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.599616 (E_RNA) where: Base-Base interactions energy: -25.824 where: short stacking energy: -25.824 Base-Backbone interact. energy: -0.185 local terms energy: -44.590909 where: bonds (distance) C4'-P energy: -10.202 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -224.686698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.686698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.686698 (E_RNA) where: Base-Base interactions energy: -148.931 where: short stacking energy: -68.432 Base-Backbone interact. energy: -0.168 local terms energy: -75.587854 where: bonds (distance) C4'-P energy: -16.034 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -16.653 flat angles P-C4'-P energy: -8.333 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: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -212.850801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.850801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.850801 (E_RNA) where: Base-Base interactions energy: -144.789 where: short stacking energy: -64.631 Base-Backbone interact. energy: -0.076 local terms energy: -67.986340 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -12.405 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: 3, replica: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -219.104267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.104267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.104267 (E_RNA) where: Base-Base interactions energy: -147.790 where: short stacking energy: -65.138 Base-Backbone interact. energy: -0.001 local terms energy: -71.313212 where: bonds (distance) C4'-P energy: -8.781 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -12.845 tors. eta vs tors. theta energy: -20.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -212.777789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.777789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.777789 (E_RNA) where: Base-Base interactions energy: -146.614 where: short stacking energy: -63.141 Base-Backbone interact. energy: -0.024 local terms energy: -66.139594 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -18.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -201.687010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.687010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.687010 (E_RNA) where: Base-Base interactions energy: -141.715 where: short stacking energy: -54.517 Base-Backbone interact. energy: -0.704 local terms energy: -59.268328 where: bonds (distance) C4'-P energy: -9.837 bonds (distance) P-C4' energy: -11.808 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -12.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -194.841097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.841097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.841097 (E_RNA) where: Base-Base interactions energy: -141.272 where: short stacking energy: -50.238 Base-Backbone interact. energy: -0.070 local terms energy: -53.499322 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -10.498 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -9.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -126.328947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.328947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.328947 (E_RNA) where: Base-Base interactions energy: -65.626 where: short stacking energy: -35.627 Base-Backbone interact. energy: -1.862 local terms energy: -58.841077 where: bonds (distance) C4'-P energy: -9.886 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -11.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -196.456095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.456095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.456095 (E_RNA) where: Base-Base interactions energy: -132.056 where: short stacking energy: -58.433 Base-Backbone interact. energy: -0.000 local terms energy: -64.399255 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -19.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -82.387039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.387039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.387039 (E_RNA) where: Base-Base interactions energy: -35.652 where: short stacking energy: -26.894 Base-Backbone interact. energy: 1.826 local terms energy: -48.561588 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -8.061 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -71.931555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.931555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.931555 (E_RNA) where: Base-Base interactions energy: -26.316 where: short stacking energy: -26.316 Base-Backbone interact. energy: -0.062 local terms energy: -45.553617 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -10.961 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -3.231 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: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -220.340096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.340096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.340096 (E_RNA) where: Base-Base interactions energy: -147.254 where: short stacking energy: -65.709 Base-Backbone interact. energy: -0.013 local terms energy: -73.073040 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -11.897 tors. eta vs tors. theta energy: -21.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -220.521062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.521062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.521062 (E_RNA) where: Base-Base interactions energy: -149.718 where: short stacking energy: -61.076 Base-Backbone interact. energy: -0.157 local terms energy: -70.645429 where: bonds (distance) C4'-P energy: -13.128 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -15.707 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -16.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -217.788775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.788775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.788775 (E_RNA) where: Base-Base interactions energy: -150.785 where: short stacking energy: -67.626 Base-Backbone interact. energy: -0.048 local terms energy: -66.955434 where: bonds (distance) C4'-P energy: -12.370 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -15.638 flat angles P-C4'-P energy: -11.878 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: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -210.974805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.974805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.974805 (E_RNA) where: Base-Base interactions energy: -138.320 where: short stacking energy: -59.332 Base-Backbone interact. energy: 0.066 local terms energy: -72.720908 where: bonds (distance) C4'-P energy: -13.858 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -9.285 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: 5, replica: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -202.936173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.936173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.936173 (E_RNA) where: Base-Base interactions energy: -139.288 where: short stacking energy: -61.866 Base-Backbone interact. energy: -0.061 local terms energy: -63.587503 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -199.518857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.518857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.518857 (E_RNA) where: Base-Base interactions energy: -129.698 where: short stacking energy: -52.228 Base-Backbone interact. energy: -0.278 local terms energy: -69.542901 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -14.425 flat angles P-C4'-P energy: -11.318 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: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -121.660635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.660635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.660635 (E_RNA) where: Base-Base interactions energy: -71.058 where: short stacking energy: -42.014 Base-Backbone interact. energy: -0.206 local terms energy: -50.397129 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -11.921 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -11.309 tors. eta vs tors. theta energy: -7.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -195.199578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.199578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.199578 (E_RNA) where: Base-Base interactions energy: -134.964 where: short stacking energy: -56.950 Base-Backbone interact. energy: -0.933 local terms energy: -59.302788 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -11.883 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -8.971 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: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -87.003650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.003650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.003650 (E_RNA) where: Base-Base interactions energy: -48.119 where: short stacking energy: -24.994 Base-Backbone interact. energy: -0.286 local terms energy: -38.598664 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -14.456 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: 1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -91.486418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.486418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.486418 (E_RNA) where: Base-Base interactions energy: -44.902 where: short stacking energy: -40.827 Base-Backbone interact. energy: -0.005 local terms energy: -46.579757 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -6.969 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -10.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -217.817995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.817995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.817995 (E_RNA) where: Base-Base interactions energy: -147.245 where: short stacking energy: -65.564 Base-Backbone interact. energy: -0.455 local terms energy: -70.117952 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -15.998 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -17.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -219.643854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.643854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.643854 (E_RNA) where: Base-Base interactions energy: -150.570 where: short stacking energy: -71.759 Base-Backbone interact. energy: -0.000 local terms energy: -69.073351 where: bonds (distance) C4'-P energy: -13.627 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -11.180 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: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -212.711560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.711560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.711560 (E_RNA) where: Base-Base interactions energy: -144.390 where: short stacking energy: -60.855 Base-Backbone interact. energy: -0.091 local terms energy: -68.230644 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -8.942 tors. eta vs tors. theta energy: -20.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -208.011934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.011934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.011934 (E_RNA) where: Base-Base interactions energy: -146.642 where: short stacking energy: -64.041 Base-Backbone interact. energy: -0.004 local terms energy: -61.366041 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -11.395 flat angles C4'-P-C4' energy: -9.648 flat angles P-C4'-P energy: -8.682 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: 5, replica: 10 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -212.017455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.017455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.017455 (E_RNA) where: Base-Base interactions energy: -145.376 where: short stacking energy: -62.134 Base-Backbone interact. energy: -0.504 local terms energy: -66.137840 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -6.234 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: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -207.929387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.929387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.929387 (E_RNA) where: Base-Base interactions energy: -141.445 where: short stacking energy: -63.291 Base-Backbone interact. energy: -0.001 local terms energy: -66.483943 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -18.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -203.057953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.057953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.057953 (E_RNA) where: Base-Base interactions energy: -140.753 where: short stacking energy: -64.536 Base-Backbone interact. energy: -0.197 local terms energy: -62.107912 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -11.306 flat angles C4'-P-C4' energy: -11.034 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -20.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -111.085349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.085349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.085349 (E_RNA) where: Base-Base interactions energy: -56.900 where: short stacking energy: -27.983 Base-Backbone interact. energy: -0.330 local terms energy: -53.854983 where: bonds (distance) C4'-P energy: -9.858 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -14.525 flat angles P-C4'-P energy: -11.730 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -111.297873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.297873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.297873 (E_RNA) where: Base-Base interactions energy: -60.030 where: short stacking energy: -33.059 Base-Backbone interact. energy: -0.134 local terms energy: -51.134129 where: bonds (distance) C4'-P energy: -13.625 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -10.402 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -69.578825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.578825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.578825 (E_RNA) where: Base-Base interactions energy: -26.383 where: short stacking energy: -23.708 Base-Backbone interact. energy: -0.264 local terms energy: -42.932568 where: bonds (distance) C4'-P energy: -13.850 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -2.214 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: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -217.648861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.648861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.648861 (E_RNA) where: Base-Base interactions energy: -149.289 where: short stacking energy: -55.457 Base-Backbone interact. energy: 0.989 local terms energy: -69.349034 where: bonds (distance) C4'-P energy: -12.413 bonds (distance) P-C4' energy: -14.096 flat angles C4'-P-C4' energy: -15.492 flat angles P-C4'-P energy: -13.132 tors. eta vs tors. theta energy: -14.217 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: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -216.185045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.185045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.185045 (E_RNA) where: Base-Base interactions energy: -149.021 where: short stacking energy: -70.640 Base-Backbone interact. energy: -0.008 local terms energy: -67.156004 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -9.129 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: 253 Temperature: 1.000000 Total energy: -212.306773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.306773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.306773 (E_RNA) where: Base-Base interactions energy: -141.406 where: short stacking energy: -62.035 Base-Backbone interact. energy: 0.736 local terms energy: -71.637175 where: bonds (distance) C4'-P energy: -11.617 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -16.028 flat angles P-C4'-P energy: -11.478 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: 4, replica: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -214.581860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.581860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.581860 (E_RNA) where: Base-Base interactions energy: -147.502 where: short stacking energy: -68.215 Base-Backbone interact. energy: -0.029 local terms energy: -67.051741 where: bonds (distance) C4'-P energy: -12.631 bonds (distance) P-C4' energy: -10.990 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -11.008 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: 10 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -209.939701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.939701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.939701 (E_RNA) where: Base-Base interactions energy: -139.415 where: short stacking energy: -58.776 Base-Backbone interact. energy: -0.067 local terms energy: -70.457602 where: bonds (distance) C4'-P energy: -14.219 bonds (distance) P-C4' energy: -14.267 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -9.403 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: 6, replica: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -204.967939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.967939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.967939 (E_RNA) where: Base-Base interactions energy: -139.521 where: short stacking energy: -64.021 Base-Backbone interact. energy: -0.001 local terms energy: -65.446052 where: bonds (distance) C4'-P energy: -12.056 bonds (distance) P-C4' energy: -9.130 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -11.269 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: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -195.882144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.882144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.882144 (E_RNA) where: Base-Base interactions energy: -135.629 where: short stacking energy: -54.638 Base-Backbone interact. energy: -0.115 local terms energy: -60.138343 where: bonds (distance) C4'-P energy: -11.195 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -11.319 flat angles P-C4'-P energy: -8.233 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: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -95.701438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.701438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.701438 (E_RNA) where: Base-Base interactions energy: -41.462 where: short stacking energy: -32.374 Base-Backbone interact. energy: -0.350 local terms energy: -53.889530 where: bonds (distance) C4'-P energy: -13.025 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -11.857 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -5.640 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: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -108.250975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.250975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.250975 (E_RNA) where: Base-Base interactions energy: -59.018 where: short stacking energy: -33.181 Base-Backbone interact. energy: -1.125 local terms energy: -48.108119 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -7.052 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -71.227937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.227937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.227937 (E_RNA) where: Base-Base interactions energy: -28.341 where: short stacking energy: -28.341 Base-Backbone interact. energy: -0.210 local terms energy: -42.677491 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -9.584 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -1.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -215.593256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.593256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.593256 (E_RNA) where: Base-Base interactions energy: -148.532 where: short stacking energy: -66.090 Base-Backbone interact. energy: -0.003 local terms energy: -67.058813 where: bonds (distance) C4'-P energy: -9.174 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -11.479 tors. eta vs tors. theta energy: -20.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -208.751768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.751768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.751768 (E_RNA) where: Base-Base interactions energy: -142.166 where: short stacking energy: -63.796 Base-Backbone interact. energy: -0.013 local terms energy: -66.572913 where: bonds (distance) C4'-P energy: -9.154 bonds (distance) P-C4' energy: -14.655 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -9.167 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: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -214.886264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.886264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.886264 (E_RNA) where: Base-Base interactions energy: -147.119 where: short stacking energy: -62.931 Base-Backbone interact. energy: -0.619 local terms energy: -67.148217 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -12.353 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -5.982 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: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -211.676636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.676636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.676636 (E_RNA) where: Base-Base interactions energy: -149.463 where: short stacking energy: -62.708 Base-Backbone interact. energy: -0.020 local terms energy: -62.194250 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -9.654 flat angles P-C4'-P energy: -8.223 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: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -210.839356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.839356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.839356 (E_RNA) where: Base-Base interactions energy: -142.568 where: short stacking energy: -62.837 Base-Backbone interact. energy: -1.707 local terms energy: -66.563830 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -10.300 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: 6, replica: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -212.679293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.679293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.679293 (E_RNA) where: Base-Base interactions energy: -145.958 where: short stacking energy: -66.751 Base-Backbone interact. energy: -0.009 local terms energy: -66.711752 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -10.950 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: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -203.961644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.961644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.961644 (E_RNA) where: Base-Base interactions energy: -140.769 where: short stacking energy: -59.620 Base-Backbone interact. energy: -0.683 local terms energy: -62.509697 where: bonds (distance) C4'-P energy: -9.199 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -9.489 tors. eta vs tors. theta energy: -17.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -78.018682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.018682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.018682 (E_RNA) where: Base-Base interactions energy: -36.776 where: short stacking energy: -32.622 Base-Backbone interact. energy: -0.211 local terms energy: -41.031302 where: bonds (distance) C4'-P energy: -9.248 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.973 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -70.588984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.588984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.588984 (E_RNA) where: Base-Base interactions energy: -22.188 where: short stacking energy: -20.988 Base-Backbone interact. energy: -0.200 local terms energy: -48.201112 where: bonds (distance) C4'-P energy: -11.253 bonds (distance) P-C4' energy: -10.782 flat angles C4'-P-C4' energy: -11.276 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -3.489 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: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -74.201787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.201787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.201787 (E_RNA) where: Base-Base interactions energy: -30.559 where: short stacking energy: -26.759 Base-Backbone interact. energy: -0.118 local terms energy: -43.525024 where: bonds (distance) C4'-P energy: -9.403 bonds (distance) P-C4' energy: -10.482 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -3.462 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: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -218.891961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.891961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.891961 (E_RNA) where: Base-Base interactions energy: -148.423 where: short stacking energy: -62.115 Base-Backbone interact. energy: -0.610 local terms energy: -69.859337 where: bonds (distance) C4'-P energy: -14.499 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -8.851 tors. eta vs tors. theta energy: -15.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -216.811950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.811950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.811950 (E_RNA) where: Base-Base interactions energy: -148.374 where: short stacking energy: -66.606 Base-Backbone interact. energy: -1.840 local terms energy: -66.597322 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -9.005 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: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -208.495546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.495546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.495546 (E_RNA) where: Base-Base interactions energy: -140.379 where: short stacking energy: -66.281 Base-Backbone interact. energy: 0.135 local terms energy: -68.251659 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -15.141 flat angles P-C4'-P energy: -11.915 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: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -216.721481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.721481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.721481 (E_RNA) where: Base-Base interactions energy: -148.458 where: short stacking energy: -65.291 Base-Backbone interact. energy: -0.004 local terms energy: -68.259699 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -14.150 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -8.404 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: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -209.836434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.836434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.836434 (E_RNA) where: Base-Base interactions energy: -143.137 where: short stacking energy: -63.189 Base-Backbone interact. energy: -0.608 local terms energy: -66.091216 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -9.653 flat angles C4'-P-C4' energy: -14.666 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -16.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -208.163665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.163665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.163665 (E_RNA) where: Base-Base interactions energy: -142.029 where: short stacking energy: -57.765 Base-Backbone interact. energy: -0.005 local terms energy: -66.129463 where: bonds (distance) C4'-P energy: -10.846 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -15.127 flat angles P-C4'-P energy: -11.036 tors. eta vs tors. theta energy: -17.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -193.836470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.836470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.836470 (E_RNA) where: Base-Base interactions energy: -133.355 where: short stacking energy: -54.775 Base-Backbone interact. energy: -0.001 local terms energy: -60.480364 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -9.762 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: 8 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -82.614782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.614782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.614782 (E_RNA) where: Base-Base interactions energy: -32.205 where: short stacking energy: -32.205 Base-Backbone interact. energy: -0.021 local terms energy: -50.389326 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -12.822 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -5.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -67.811534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.811534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.811534 (E_RNA) where: Base-Base interactions energy: -19.774 where: short stacking energy: -14.794 Base-Backbone interact. energy: 1.279 local terms energy: -49.317218 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -9.364 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -12.030 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: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -78.723661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.723661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.723661 (E_RNA) where: Base-Base interactions energy: -38.568 where: short stacking energy: -30.677 Base-Backbone interact. energy: -0.120 local terms energy: -40.035266 where: bonds (distance) C4'-P energy: -10.404 bonds (distance) P-C4' energy: -7.595 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -5.164 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: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -223.868236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.868236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.868236 (E_RNA) where: Base-Base interactions energy: -152.228 where: short stacking energy: -64.971 Base-Backbone interact. energy: -0.615 local terms energy: -71.025762 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -12.211 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: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -218.229556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.229556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.229556 (E_RNA) where: Base-Base interactions energy: -149.784 where: short stacking energy: -63.598 Base-Backbone interact. energy: -0.002 local terms energy: -68.443841 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -15.011 flat angles P-C4'-P energy: -8.119 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: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -217.791342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.791342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.791342 (E_RNA) where: Base-Base interactions energy: -149.253 where: short stacking energy: -67.542 Base-Backbone interact. energy: -0.074 local terms energy: -68.465025 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -11.998 flat angles C4'-P-C4' energy: -15.072 flat angles P-C4'-P energy: -11.850 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: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -211.010781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.010781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.010781 (E_RNA) where: Base-Base interactions energy: -147.065 where: short stacking energy: -62.242 Base-Backbone interact. energy: -0.697 local terms energy: -63.248405 where: bonds (distance) C4'-P energy: -9.054 bonds (distance) P-C4' energy: -15.886 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -17.213 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: 256 Temperature: 1.100000 Total energy: -200.441681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.441681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.441681 (E_RNA) where: Base-Base interactions energy: -139.847 where: short stacking energy: -54.784 Base-Backbone interact. energy: -0.228 local terms energy: -60.367599 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -10.604 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -10.664 tors. eta vs tors. theta energy: -13.463 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: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -202.453093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.453093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.453093 (E_RNA) where: Base-Base interactions energy: -134.531 where: short stacking energy: -53.784 Base-Backbone interact. energy: -0.868 local terms energy: -67.053365 where: bonds (distance) C4'-P energy: -13.562 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -7.068 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: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -197.591522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.591522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.591522 (E_RNA) where: Base-Base interactions energy: -136.671 where: short stacking energy: -59.047 Base-Backbone interact. energy: -0.014 local terms energy: -60.906289 where: bonds (distance) C4'-P energy: -13.562 bonds (distance) P-C4' energy: -7.871 flat angles C4'-P-C4' energy: -10.729 flat angles P-C4'-P energy: -11.847 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: 8, replica: 8 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -83.759420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.759420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.759420 (E_RNA) where: Base-Base interactions energy: -28.368 where: short stacking energy: -28.368 Base-Backbone interact. energy: 0.077 local terms energy: -55.467871 where: bonds (distance) C4'-P energy: -7.750 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -11.031 flat angles P-C4'-P energy: -11.692 tors. eta vs tors. theta energy: -9.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -70.947489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.947489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.947489 (E_RNA) where: Base-Base interactions energy: -25.092 where: short stacking energy: -22.331 Base-Backbone interact. energy: -0.115 local terms energy: -45.740545 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -10.902 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -78.735732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.735732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.735732 (E_RNA) where: Base-Base interactions energy: -31.268 where: short stacking energy: -19.588 Base-Backbone interact. energy: 0.474 local terms energy: -47.942220 where: bonds (distance) C4'-P energy: -9.486 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -220.867096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.867096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.867096 (E_RNA) where: Base-Base interactions energy: -147.761 where: short stacking energy: -65.454 Base-Backbone interact. energy: -0.001 local terms energy: -73.105457 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -14.827 flat angles C4'-P-C4' energy: -13.066 flat angles P-C4'-P energy: -11.002 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: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -222.560657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.560657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.560657 (E_RNA) where: Base-Base interactions energy: -148.170 where: short stacking energy: -68.657 Base-Backbone interact. energy: -0.006 local terms energy: -74.385388 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -16.247 flat angles P-C4'-P energy: -11.385 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: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -220.231692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.231692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.231692 (E_RNA) where: Base-Base interactions energy: -154.502 where: short stacking energy: -70.324 Base-Backbone interact. energy: -0.036 local terms energy: -65.692841 where: bonds (distance) C4'-P energy: -11.903 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -10.385 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: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -214.278169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.278169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.278169 (E_RNA) where: Base-Base interactions energy: -138.989 where: short stacking energy: -59.570 Base-Backbone interact. energy: -0.003 local terms energy: -75.286417 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -20.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -206.930898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.930898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.930898 (E_RNA) where: Base-Base interactions energy: -142.593 where: short stacking energy: -60.436 Base-Backbone interact. energy: -0.090 local terms energy: -64.248315 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -6.522 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: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -209.323469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.323469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.323469 (E_RNA) where: Base-Base interactions energy: -141.612 where: short stacking energy: -62.696 Base-Backbone interact. energy: -0.723 local terms energy: -66.988555 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -12.693 flat angles P-C4'-P energy: -8.591 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: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -199.844987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.844987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.844987 (E_RNA) where: Base-Base interactions energy: -145.139 where: short stacking energy: -62.794 Base-Backbone interact. energy: -0.004 local terms energy: -54.702507 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -4.023 flat angles C4'-P-C4' energy: -15.605 flat angles P-C4'-P energy: -5.397 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: 8, replica: 7 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -112.375242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.375242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.375242 (E_RNA) where: Base-Base interactions energy: -65.541 where: short stacking energy: -39.873 Base-Backbone interact. energy: 2.953 local terms energy: -49.786832 where: bonds (distance) C4'-P energy: -10.234 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -83.496124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.496124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.496124 (E_RNA) where: Base-Base interactions energy: -29.349 where: short stacking energy: -29.349 Base-Backbone interact. energy: -0.119 local terms energy: -54.027334 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -13.171 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -5.795 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: 257 Temperature: 1.350000 Total energy: -73.227627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.227627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.227627 (E_RNA) where: Base-Base interactions energy: -27.238 where: short stacking energy: -27.238 Base-Backbone interact. energy: 1.588 local terms energy: -47.577916 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -8.018 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: 1, replica: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -218.825185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.825185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.825185 (E_RNA) where: Base-Base interactions energy: -147.000 where: short stacking energy: -62.998 Base-Backbone interact. energy: -0.117 local terms energy: -71.708392 where: bonds (distance) C4'-P energy: -14.914 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -216.192014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.192014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.192014 (E_RNA) where: Base-Base interactions energy: -145.672 where: short stacking energy: -62.193 Base-Backbone interact. energy: -0.027 local terms energy: -70.492425 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -14.810 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -14.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -214.166188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.166188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.166188 (E_RNA) where: Base-Base interactions energy: -148.467 where: short stacking energy: -67.007 Base-Backbone interact. energy: -0.059 local terms energy: -65.639898 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -12.186 flat angles C4'-P-C4' energy: -14.036 flat angles P-C4'-P energy: -10.962 tors. eta vs tors. theta energy: -15.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -212.394600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.394600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.394600 (E_RNA) where: Base-Base interactions energy: -145.352 where: short stacking energy: -57.783 Base-Backbone interact. energy: -0.005 local terms energy: -67.038109 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -10.845 flat angles P-C4'-P energy: -9.200 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: 5, replica: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -207.483907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.483907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.483907 (E_RNA) where: Base-Base interactions energy: -143.254 where: short stacking energy: -60.084 Base-Backbone interact. energy: -0.099 local terms energy: -64.130572 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -11.942 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -197.632451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.632451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.632451 (E_RNA) where: Base-Base interactions energy: -131.483 where: short stacking energy: -55.001 Base-Backbone interact. energy: -0.003 local terms energy: -66.145793 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -17.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -113.507413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.507413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.507413 (E_RNA) where: Base-Base interactions energy: -63.700 where: short stacking energy: -39.189 Base-Backbone interact. energy: -0.166 local terms energy: -49.641459 where: bonds (distance) C4'-P energy: -10.694 bonds (distance) P-C4' energy: -13.176 flat angles C4'-P-C4' energy: -10.680 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -5.444 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: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -185.527754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.527754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.527754 (E_RNA) where: Base-Base interactions energy: -133.301 where: short stacking energy: -50.955 Base-Backbone interact. energy: -0.315 local terms energy: -51.911312 where: bonds (distance) C4'-P energy: -13.657 bonds (distance) P-C4' energy: -10.085 flat angles C4'-P-C4' energy: -10.251 flat angles P-C4'-P energy: -7.931 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: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -70.347961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.347961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.347961 (E_RNA) where: Base-Base interactions energy: -26.061 where: short stacking energy: -17.688 Base-Backbone interact. energy: -0.365 local terms energy: -43.921689 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: 1.852 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: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -78.812957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.812957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.812957 (E_RNA) where: Base-Base interactions energy: -31.028 where: short stacking energy: -31.028 Base-Backbone interact. energy: -0.201 local terms energy: -47.584158 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -224.980244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.980244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.980244 (E_RNA) where: Base-Base interactions energy: -150.883 where: short stacking energy: -67.330 Base-Backbone interact. energy: -0.000 local terms energy: -74.096515 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -21.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -222.373314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.373314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.373314 (E_RNA) where: Base-Base interactions energy: -150.028 where: short stacking energy: -66.420 Base-Backbone interact. energy: -2.123 local terms energy: -70.222013 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -11.665 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: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -216.148941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.148941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.148941 (E_RNA) where: Base-Base interactions energy: -145.884 where: short stacking energy: -65.443 Base-Backbone interact. energy: 0.020 local terms energy: -70.285058 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -9.007 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: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -214.560801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.560801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.560801 (E_RNA) where: Base-Base interactions energy: -144.137 where: short stacking energy: -63.116 Base-Backbone interact. energy: 0.905 local terms energy: -71.328992 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -10.578 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: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -209.146586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.146586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.146586 (E_RNA) where: Base-Base interactions energy: -143.198 where: short stacking energy: -62.730 Base-Backbone interact. energy: -0.374 local terms energy: -65.573923 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -8.500 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: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -200.421247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.421247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.421247 (E_RNA) where: Base-Base interactions energy: -142.446 where: short stacking energy: -60.721 Base-Backbone interact. energy: -0.117 local terms energy: -57.857787 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -12.283 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -17.586 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: 259 Temperature: 1.200000 Total energy: -114.878263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.878263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.878263 (E_RNA) where: Base-Base interactions energy: -64.618 where: short stacking energy: -43.118 Base-Backbone interact. energy: -0.099 local terms energy: -50.161054 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -11.588 flat angles P-C4'-P energy: -5.424 tors. eta vs tors. theta energy: -9.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -192.275547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.275547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.275547 (E_RNA) where: Base-Base interactions energy: -127.353 where: short stacking energy: -51.950 Base-Backbone interact. energy: -0.067 local terms energy: -64.855606 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -12.724 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -11.140 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: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -79.439284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.439284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.439284 (E_RNA) where: Base-Base interactions energy: -36.723 where: short stacking energy: -36.723 Base-Backbone interact. energy: -0.568 local terms energy: -42.148553 where: bonds (distance) C4'-P energy: -11.228 bonds (distance) P-C4' energy: -8.458 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -89.935190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.935190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.935190 (E_RNA) where: Base-Base interactions energy: -46.268 where: short stacking energy: -35.461 Base-Backbone interact. energy: -0.012 local terms energy: -43.655688 where: bonds (distance) C4'-P energy: -10.201 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -9.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -220.568759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.568759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.568759 (E_RNA) where: Base-Base interactions energy: -151.072 where: short stacking energy: -57.565 Base-Backbone interact. energy: -0.133 local terms energy: -69.363399 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -15.201 flat angles P-C4'-P energy: -12.220 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: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -215.630124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.630124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.630124 (E_RNA) where: Base-Base interactions energy: -155.367 where: short stacking energy: -64.669 Base-Backbone interact. energy: -0.217 local terms energy: -60.045164 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -15.621 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -14.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -213.554701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.554701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.554701 (E_RNA) where: Base-Base interactions energy: -144.997 where: short stacking energy: -68.616 Base-Backbone interact. energy: -0.850 local terms energy: -67.707358 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -10.874 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: 4, replica: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -209.609187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.609187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.609187 (E_RNA) where: Base-Base interactions energy: -141.565 where: short stacking energy: -56.402 Base-Backbone interact. energy: -0.101 local terms energy: -67.942722 where: bonds (distance) C4'-P energy: -9.721 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -19.702 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: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -213.360053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.360053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.360053 (E_RNA) where: Base-Base interactions energy: -141.966 where: short stacking energy: -60.792 Base-Backbone interact. energy: -0.007 local terms energy: -71.387115 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -10.176 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: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -200.868763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.868763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.868763 (E_RNA) where: Base-Base interactions energy: -142.843 where: short stacking energy: -60.476 Base-Backbone interact. energy: -0.118 local terms energy: -57.908070 where: bonds (distance) C4'-P energy: -12.586 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -6.155 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: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -198.611024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.611024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.611024 (E_RNA) where: Base-Base interactions energy: -134.156 where: short stacking energy: -57.621 Base-Backbone interact. energy: -0.672 local terms energy: -63.783394 where: bonds (distance) C4'-P energy: -10.015 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -15.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -122.091467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.091467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.091467 (E_RNA) where: Base-Base interactions energy: -74.515 where: short stacking energy: -49.606 Base-Backbone interact. energy: -0.159 local terms energy: -47.417220 where: bonds (distance) C4'-P energy: -5.352 bonds (distance) P-C4' energy: -12.551 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -12.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -80.682032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.682032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.682032 (E_RNA) where: Base-Base interactions energy: -39.501 where: short stacking energy: -34.548 Base-Backbone interact. energy: -0.198 local terms energy: -40.983439 where: bonds (distance) C4'-P energy: -9.542 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -69.873323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.873323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.873323 (E_RNA) where: Base-Base interactions energy: -20.026 where: short stacking energy: -20.026 Base-Backbone interact. energy: 0.073 local terms energy: -49.920341 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -11.581 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -11.371 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -223.123854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.123854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.123854 (E_RNA) where: Base-Base interactions energy: -150.326 where: short stacking energy: -62.578 Base-Backbone interact. energy: -0.723 local terms energy: -72.074443 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -17.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -220.241502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.241502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.241502 (E_RNA) where: Base-Base interactions energy: -144.426 where: short stacking energy: -65.820 Base-Backbone interact. energy: 0.076 local terms energy: -75.891210 where: bonds (distance) C4'-P energy: -15.849 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -15.773 flat angles P-C4'-P energy: -11.102 tors. eta vs tors. theta energy: -17.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -212.466504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.466504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.466504 (E_RNA) where: Base-Base interactions energy: -142.733 where: short stacking energy: -60.280 Base-Backbone interact. energy: -0.176 local terms energy: -69.557223 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -11.035 tors. eta vs tors. theta energy: -16.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -212.120721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.120721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.120721 (E_RNA) where: Base-Base interactions energy: -143.386 where: short stacking energy: -57.384 Base-Backbone interact. energy: -0.012 local terms energy: -68.722200 where: bonds (distance) C4'-P energy: -10.846 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -17.463 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: 3 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -201.707072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.707072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.707072 (E_RNA) where: Base-Base interactions energy: -138.336 where: short stacking energy: -61.389 Base-Backbone interact. energy: -0.050 local terms energy: -63.321124 where: bonds (distance) C4'-P energy: -9.932 bonds (distance) P-C4' energy: -14.830 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -16.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -204.109716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.109716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.109716 (E_RNA) where: Base-Base interactions energy: -138.225 where: short stacking energy: -55.821 Base-Backbone interact. energy: -0.314 local terms energy: -65.570084 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -13.930 flat angles P-C4'-P energy: -9.250 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: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -188.703724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.703724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.703724 (E_RNA) where: Base-Base interactions energy: -129.188 where: short stacking energy: -54.962 Base-Backbone interact. energy: -0.050 local terms energy: -59.465095 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -13.300 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: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -94.562681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.562681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.562681 (E_RNA) where: Base-Base interactions energy: -39.106 where: short stacking energy: -39.106 Base-Backbone interact. energy: -0.035 local terms energy: -55.420815 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -12.320 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -5.177 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: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -110.945021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.945021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.945021 (E_RNA) where: Base-Base interactions energy: -64.243 where: short stacking energy: -37.871 Base-Backbone interact. energy: 0.126 local terms energy: -46.827879 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -6.982 tors. eta vs tors. theta energy: -6.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -77.006256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.006256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.006256 (E_RNA) where: Base-Base interactions energy: -33.946 where: short stacking energy: -28.882 Base-Backbone interact. energy: -0.124 local terms energy: -42.936077 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -10.970 flat angles C4'-P-C4' energy: -11.342 flat angles P-C4'-P energy: -5.149 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: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -216.596583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.596583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.596583 (E_RNA) where: Base-Base interactions energy: -146.373 where: short stacking energy: -63.609 Base-Backbone interact. energy: -0.089 local terms energy: -70.134804 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -8.681 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: 2, replica: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -217.758609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.758609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.758609 (E_RNA) where: Base-Base interactions energy: -147.245 where: short stacking energy: -61.455 Base-Backbone interact. energy: -0.087 local terms energy: -70.426044 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -215.323993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.323993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.323993 (E_RNA) where: Base-Base interactions energy: -146.002 where: short stacking energy: -62.919 Base-Backbone interact. energy: -0.036 local terms energy: -69.286432 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -18.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -208.617327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.617327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.617327 (E_RNA) where: Base-Base interactions energy: -138.149 where: short stacking energy: -58.074 Base-Backbone interact. energy: -0.000 local terms energy: -70.467811 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -10.147 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: 5, replica: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -209.170709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.170709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.170709 (E_RNA) where: Base-Base interactions energy: -139.364 where: short stacking energy: -65.802 Base-Backbone interact. energy: -0.006 local terms energy: -69.801297 where: bonds (distance) C4'-P energy: -16.721 bonds (distance) P-C4' energy: -11.776 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -19.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -196.148155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.148155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.148155 (E_RNA) where: Base-Base interactions energy: -131.764 where: short stacking energy: -55.519 Base-Backbone interact. energy: -0.075 local terms energy: -64.308970 where: bonds (distance) C4'-P energy: -10.296 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -14.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -207.258185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.258185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.258185 (E_RNA) where: Base-Base interactions energy: -142.031 where: short stacking energy: -60.117 Base-Backbone interact. energy: -0.051 local terms energy: -65.175811 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -12.340 tors. eta vs tors. theta energy: -15.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -89.825687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.825687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.825687 (E_RNA) where: Base-Base interactions energy: -36.348 where: short stacking energy: -34.432 Base-Backbone interact. energy: -0.141 local terms energy: -53.336422 where: bonds (distance) C4'-P energy: -8.095 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -11.119 tors. eta vs tors. theta energy: -8.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -64.480406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.480406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.480406 (E_RNA) where: Base-Base interactions energy: -26.034 where: short stacking energy: -25.970 Base-Backbone interact. energy: -0.094 local terms energy: -38.352671 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: 2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -82.098838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.098838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.098838 (E_RNA) where: Base-Base interactions energy: -41.418 where: short stacking energy: -27.052 Base-Backbone interact. energy: -0.314 local terms energy: -40.367615 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -6.616 flat angles C4'-P-C4' energy: -9.392 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -3.397 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: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -220.375301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.375301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.375301 (E_RNA) where: Base-Base interactions energy: -147.838 where: short stacking energy: -65.567 Base-Backbone interact. energy: -0.748 local terms energy: -71.789244 where: bonds (distance) C4'-P energy: -13.608 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -10.832 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: 2, replica: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -218.003758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.003758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.003758 (E_RNA) where: Base-Base interactions energy: -150.614 where: short stacking energy: -68.431 Base-Backbone interact. energy: -0.233 local terms energy: -67.156779 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -11.996 flat angles C4'-P-C4' energy: -14.739 flat angles P-C4'-P energy: -10.455 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: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -209.263757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.263757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.263757 (E_RNA) where: Base-Base interactions energy: -142.637 where: short stacking energy: -60.963 Base-Backbone interact. energy: -0.162 local terms energy: -66.465170 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -14.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -217.341535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.341535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.341535 (E_RNA) where: Base-Base interactions energy: -149.924 where: short stacking energy: -62.833 Base-Backbone interact. energy: -0.276 local terms energy: -67.141329 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -13.286 tors. eta vs tors. theta energy: -17.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -211.114871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.114871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.114871 (E_RNA) where: Base-Base interactions energy: -140.508 where: short stacking energy: -60.853 Base-Backbone interact. energy: -0.061 local terms energy: -70.546474 where: bonds (distance) C4'-P energy: -15.144 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -18.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -197.790000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.790000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.790000 (E_RNA) where: Base-Base interactions energy: -136.535 where: short stacking energy: -57.082 Base-Backbone interact. energy: -0.017 local terms energy: -61.238230 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -7.756 tors. eta vs tors. theta energy: -16.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -167.694841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.694841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.694841 (E_RNA) where: Base-Base interactions energy: -110.214 where: short stacking energy: -47.542 Base-Backbone interact. energy: -0.224 local terms energy: -57.256812 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -9.973 flat angles P-C4'-P energy: -8.747 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: 8, replica: 8 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -87.957011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.957011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.957011 (E_RNA) where: Base-Base interactions energy: -32.113 where: short stacking energy: -32.099 Base-Backbone interact. energy: 0.598 local terms energy: -56.442434 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -7.711 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: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -76.191943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.191943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.191943 (E_RNA) where: Base-Base interactions energy: -29.035 where: short stacking energy: -29.035 Base-Backbone interact. energy: -0.096 local terms energy: -47.060759 where: bonds (distance) C4'-P energy: -8.533 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -86.427081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.427081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.427081 (E_RNA) where: Base-Base interactions energy: -35.966 where: short stacking energy: -35.966 Base-Backbone interact. energy: -0.280 local terms energy: -50.181190 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -222.133011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.133011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.133011 (E_RNA) where: Base-Base interactions energy: -156.162 where: short stacking energy: -69.827 Base-Backbone interact. energy: -0.183 local terms energy: -65.788207 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -9.607 flat angles P-C4'-P energy: -12.978 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: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -220.307131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.307131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.307131 (E_RNA) where: Base-Base interactions energy: -153.625 where: short stacking energy: -71.217 Base-Backbone interact. energy: -0.415 local terms energy: -66.266731 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -19.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -214.824126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.824126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.824126 (E_RNA) where: Base-Base interactions energy: -148.884 where: short stacking energy: -62.553 Base-Backbone interact. energy: -0.373 local terms energy: -65.567294 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -11.766 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -18.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -209.013666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.013666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.013666 (E_RNA) where: Base-Base interactions energy: -141.408 where: short stacking energy: -60.076 Base-Backbone interact. energy: -0.440 local terms energy: -67.165588 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -7.032 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: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -211.786637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.786637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.786637 (E_RNA) where: Base-Base interactions energy: -145.030 where: short stacking energy: -64.436 Base-Backbone interact. energy: -0.013 local terms energy: -66.743123 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -11.940 tors. eta vs tors. theta energy: -17.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -203.020782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.020782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.020782 (E_RNA) where: Base-Base interactions energy: -141.336 where: short stacking energy: -59.874 Base-Backbone interact. energy: -0.015 local terms energy: -61.669592 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -10.117 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: -18.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -185.180123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.180123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.180123 (E_RNA) where: Base-Base interactions energy: -122.260 where: short stacking energy: -58.011 Base-Backbone interact. energy: -0.068 local terms energy: -62.852055 where: bonds (distance) C4'-P energy: -10.182 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -11.124 tors. eta vs tors. theta energy: -13.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -84.274417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.274417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.274417 (E_RNA) where: Base-Base interactions energy: -43.689 where: short stacking energy: -38.453 Base-Backbone interact. energy: 0.052 local terms energy: -40.637266 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -6.313 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -70.748677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.748677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.748677 (E_RNA) where: Base-Base interactions energy: -22.472 where: short stacking energy: -22.472 Base-Backbone interact. energy: -0.064 local terms energy: -48.213269 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -16.079 flat angles C4'-P-C4' energy: -9.858 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -80.335940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.335940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.335940 (E_RNA) where: Base-Base interactions energy: -34.981 where: short stacking energy: -26.244 Base-Backbone interact. energy: -0.165 local terms energy: -45.189843 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -219.131829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.131829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.131829 (E_RNA) where: Base-Base interactions energy: -148.966 where: short stacking energy: -69.871 Base-Backbone interact. energy: -0.001 local terms energy: -70.164684 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -10.260 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: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -218.624417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.624417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.624417 (E_RNA) where: Base-Base interactions energy: -147.610 where: short stacking energy: -65.816 Base-Backbone interact. energy: -0.010 local terms energy: -71.004016 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -11.979 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: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -215.608826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.608826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.608826 (E_RNA) where: Base-Base interactions energy: -145.802 where: short stacking energy: -64.722 Base-Backbone interact. energy: -0.001 local terms energy: -69.806550 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -9.893 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: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -203.674954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.674954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.674954 (E_RNA) where: Base-Base interactions energy: -134.452 where: short stacking energy: -61.192 Base-Backbone interact. energy: -0.003 local terms energy: -69.220374 where: bonds (distance) C4'-P energy: -15.307 bonds (distance) P-C4' energy: -13.566 flat angles C4'-P-C4' energy: -11.395 flat angles P-C4'-P energy: -11.309 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: 5, replica: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -207.273779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.273779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.273779 (E_RNA) where: Base-Base interactions energy: -141.236 where: short stacking energy: -61.962 Base-Backbone interact. energy: -0.269 local terms energy: -65.768799 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -17.081 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: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -197.550158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.550158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.550158 (E_RNA) where: Base-Base interactions energy: -134.654 where: short stacking energy: -56.029 Base-Backbone interact. energy: -0.015 local terms energy: -62.881903 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -13.320 flat angles C4'-P-C4' energy: -8.791 flat angles P-C4'-P energy: -10.622 tors. eta vs tors. theta energy: -15.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -199.669639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.669639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.669639 (E_RNA) where: Base-Base interactions energy: -134.331 where: short stacking energy: -57.508 Base-Backbone interact. energy: -0.011 local terms energy: -65.327337 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -17.568 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: 8 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -78.980654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.980654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.980654 (E_RNA) where: Base-Base interactions energy: -35.339 where: short stacking energy: -27.327 Base-Backbone interact. energy: -0.127 local terms energy: -43.514138 where: bonds (distance) C4'-P energy: -8.856 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -0.807 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -77.368432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.368432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.368432 (E_RNA) where: Base-Base interactions energy: -31.166 where: short stacking energy: -31.166 Base-Backbone interact. energy: -0.094 local terms energy: -46.108297 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -15.685 flat angles C4'-P-C4' energy: -8.756 flat angles P-C4'-P energy: -8.785 tors. eta vs tors. theta energy: -0.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -75.419928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.419928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.419928 (E_RNA) where: Base-Base interactions energy: -23.971 where: short stacking energy: -22.742 Base-Backbone interact. energy: -0.098 local terms energy: -51.350136 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -9.450 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -217.902003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.902003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.902003 (E_RNA) where: Base-Base interactions energy: -150.162 where: short stacking energy: -60.209 Base-Backbone interact. energy: -0.024 local terms energy: -67.716618 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -19.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -218.628027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.628027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.628027 (E_RNA) where: Base-Base interactions energy: -150.283 where: short stacking energy: -62.885 Base-Backbone interact. energy: -0.536 local terms energy: -67.809473 where: bonds (distance) C4'-P energy: -13.320 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -7.594 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: 3, replica: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -215.934682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.934682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.934682 (E_RNA) where: Base-Base interactions energy: -147.738 where: short stacking energy: -62.665 Base-Backbone interact. energy: 0.031 local terms energy: -68.227365 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -19.825 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: 266 Temperature: 1.050000 Total energy: -209.206372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.206372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.206372 (E_RNA) where: Base-Base interactions energy: -141.886 where: short stacking energy: -60.065 Base-Backbone interact. energy: -1.176 local terms energy: -66.144594 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -11.044 tors. eta vs tors. theta energy: -16.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -192.546964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.546964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.546964 (E_RNA) where: Base-Base interactions energy: -128.006 where: short stacking energy: -49.899 Base-Backbone interact. energy: -0.047 local terms energy: -64.494015 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -16.861 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: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -208.891723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.891723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.891723 (E_RNA) where: Base-Base interactions energy: -139.941 where: short stacking energy: -64.280 Base-Backbone interact. energy: -1.863 local terms energy: -67.088644 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -12.548 flat angles P-C4'-P energy: -9.613 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: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -185.267160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.267160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.267160 (E_RNA) where: Base-Base interactions energy: -129.516 where: short stacking energy: -57.797 Base-Backbone interact. energy: -0.002 local terms energy: -55.749714 where: bonds (distance) C4'-P energy: -10.056 bonds (distance) P-C4' energy: -7.103 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -17.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -83.238662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.238662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.238662 (E_RNA) where: Base-Base interactions energy: -32.099 where: short stacking energy: -31.510 Base-Backbone interact. energy: -0.002 local terms energy: -51.137022 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -10.237 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: 9, replica: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -74.891425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.891425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.891425 (E_RNA) where: Base-Base interactions energy: -31.793 where: short stacking energy: -28.069 Base-Backbone interact. energy: -0.013 local terms energy: -43.086241 where: bonds (distance) C4'-P energy: -7.651 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -4.084 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: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -81.086138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.086138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.086138 (E_RNA) where: Base-Base interactions energy: -41.087 where: short stacking energy: -23.744 Base-Backbone interact. energy: -0.605 local terms energy: -39.394067 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: 1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -216.997890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.997890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.997890 (E_RNA) where: Base-Base interactions energy: -140.351 where: short stacking energy: -60.862 Base-Backbone interact. energy: -0.011 local terms energy: -76.635927 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -9.405 tors. eta vs tors. theta energy: -21.867 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: 4 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -219.302396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.302396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.302396 (E_RNA) where: Base-Base interactions energy: -147.722 where: short stacking energy: -62.611 Base-Backbone interact. energy: -0.035 local terms energy: -71.545203 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -15.803 flat angles P-C4'-P energy: -12.669 tors. eta vs tors. theta energy: -16.676 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: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -212.994135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.994135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.994135 (E_RNA) where: Base-Base interactions energy: -142.104 where: short stacking energy: -63.053 Base-Backbone interact. energy: -0.002 local terms energy: -70.887351 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -17.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -207.303755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.303755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.303755 (E_RNA) where: Base-Base interactions energy: -142.680 where: short stacking energy: -57.223 Base-Backbone interact. energy: -0.311 local terms energy: -64.312139 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -13.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -201.928531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.928531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.928531 (E_RNA) where: Base-Base interactions energy: -138.604 where: short stacking energy: -55.800 Base-Backbone interact. energy: -0.216 local terms energy: -63.108716 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -14.581 flat angles P-C4'-P energy: -10.441 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: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -208.940196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.940196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.940196 (E_RNA) where: Base-Base interactions energy: -142.352 where: short stacking energy: -61.688 Base-Backbone interact. energy: -0.014 local terms energy: -66.574661 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -11.879 flat angles P-C4'-P energy: -11.254 tors. eta vs tors. theta energy: -17.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -205.724868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.724868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.724868 (E_RNA) where: Base-Base interactions energy: -142.515 where: short stacking energy: -63.431 Base-Backbone interact. energy: -0.043 local terms energy: -63.166546 where: bonds (distance) C4'-P energy: -11.314 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -19.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -79.226575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.226575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.226575 (E_RNA) where: Base-Base interactions energy: -28.794 where: short stacking energy: -28.794 Base-Backbone interact. energy: -0.045 local terms energy: -50.388032 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -73.933523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.933523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.933523 (E_RNA) where: Base-Base interactions energy: -30.212 where: short stacking energy: -30.212 Base-Backbone interact. energy: -0.081 local terms energy: -43.639759 where: bonds (distance) C4'-P energy: -6.458 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -3.704 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: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -78.347684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.347684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.347684 (E_RNA) where: Base-Base interactions energy: -33.994 where: short stacking energy: -31.305 Base-Backbone interact. energy: -0.476 local terms energy: -43.877207 where: bonds (distance) C4'-P energy: -7.368 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -220.373544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.373544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.373544 (E_RNA) where: Base-Base interactions energy: -149.761 where: short stacking energy: -69.205 Base-Backbone interact. energy: -0.365 local terms energy: -70.247581 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -10.421 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: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -218.669819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.669819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.669819 (E_RNA) where: Base-Base interactions energy: -149.557 where: short stacking energy: -63.348 Base-Backbone interact. energy: -0.259 local terms energy: -68.854476 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -9.644 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: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -215.389731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.389731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.389731 (E_RNA) where: Base-Base interactions energy: -150.525 where: short stacking energy: -63.379 Base-Backbone interact. energy: -0.031 local terms energy: -64.833377 where: bonds (distance) C4'-P energy: -14.796 bonds (distance) P-C4' energy: -9.487 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -9.610 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: 4, replica: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -218.401482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.401482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.401482 (E_RNA) where: Base-Base interactions energy: -146.788 where: short stacking energy: -66.340 Base-Backbone interact. energy: -0.026 local terms energy: -71.587812 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -15.080 flat angles P-C4'-P energy: -9.720 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: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -213.699151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.699151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.699151 (E_RNA) where: Base-Base interactions energy: -145.677 where: short stacking energy: -64.589 Base-Backbone interact. energy: -0.061 local terms energy: -67.961730 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -11.459 tors. eta vs tors. theta energy: -17.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -208.426300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.426300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.426300 (E_RNA) where: Base-Base interactions energy: -139.728 where: short stacking energy: -56.713 Base-Backbone interact. energy: -0.122 local terms energy: -68.576367 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -10.801 flat angles P-C4'-P energy: -11.679 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: 268 Temperature: 1.200000 Total energy: -195.297558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.297558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.297558 (E_RNA) where: Base-Base interactions energy: -139.037 where: short stacking energy: -54.115 Base-Backbone interact. energy: -0.303 local terms energy: -55.958388 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -10.422 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -17.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -85.486396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.486396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.486396 (E_RNA) where: Base-Base interactions energy: -34.350 where: short stacking energy: -34.350 Base-Backbone interact. energy: -0.088 local terms energy: -51.048065 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -79.157701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.157701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.157701 (E_RNA) where: Base-Base interactions energy: -34.836 where: short stacking energy: -28.925 Base-Backbone interact. energy: -0.131 local terms energy: -44.190529 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -9.282 flat angles P-C4'-P energy: -11.538 tors. eta vs tors. theta energy: -2.750 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: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -80.562042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.562042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.562042 (E_RNA) where: Base-Base interactions energy: -36.988 where: short stacking energy: -31.164 Base-Backbone interact. energy: -0.076 local terms energy: -43.497783 where: bonds (distance) C4'-P energy: -9.402 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -7.458 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: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -216.971653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.971653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.971653 (E_RNA) where: Base-Base interactions energy: -147.006 where: short stacking energy: -63.792 Base-Backbone interact. energy: -0.044 local terms energy: -69.921106 where: bonds (distance) C4'-P energy: -14.739 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -11.785 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: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -219.492274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.492274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.492274 (E_RNA) where: Base-Base interactions energy: -146.966 where: short stacking energy: -65.490 Base-Backbone interact. energy: 0.098 local terms energy: -72.625028 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -13.851 flat angles C4'-P-C4' energy: -16.026 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -20.981 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: 3, replica: 2 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -215.585838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.585838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.585838 (E_RNA) where: Base-Base interactions energy: -146.604 where: short stacking energy: -61.012 Base-Backbone interact. energy: -0.608 local terms energy: -68.373799 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -10.495 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: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -207.986044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.986044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.986044 (E_RNA) where: Base-Base interactions energy: -141.139 where: short stacking energy: -59.699 Base-Backbone interact. energy: -0.334 local terms energy: -66.512963 where: bonds (distance) C4'-P energy: -7.892 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -16.245 flat angles P-C4'-P energy: -11.726 tors. eta vs tors. theta energy: -15.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -208.448111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.448111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.448111 (E_RNA) where: Base-Base interactions energy: -140.773 where: short stacking energy: -64.401 Base-Backbone interact. energy: 0.043 local terms energy: -67.717594 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -11.865 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -16.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -211.321292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.321292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.321292 (E_RNA) where: Base-Base interactions energy: -142.407 where: short stacking energy: -64.831 Base-Backbone interact. energy: -0.000 local terms energy: -68.913851 where: bonds (distance) C4'-P energy: -10.644 bonds (distance) P-C4' energy: -14.478 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -8.922 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: 7, replica: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -202.708802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.708802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.708802 (E_RNA) where: Base-Base interactions energy: -134.341 where: short stacking energy: -53.955 Base-Backbone interact. energy: -0.246 local terms energy: -68.121119 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -9.510 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: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -75.789222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.789222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.789222 (E_RNA) where: Base-Base interactions energy: -18.971 where: short stacking energy: -18.971 Base-Backbone interact. energy: -0.105 local terms energy: -56.712934 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -11.428 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: 9, replica: 1 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -89.583934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.583934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.583934 (E_RNA) where: Base-Base interactions energy: -35.044 where: short stacking energy: -35.044 Base-Backbone interact. energy: -0.075 local terms energy: -54.464411 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -80.653379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.653379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.653379 (E_RNA) where: Base-Base interactions energy: -24.869 where: short stacking energy: -22.693 Base-Backbone interact. energy: -0.020 local terms energy: -55.763824 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -16.052 flat angles C4'-P-C4' energy: -11.094 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -6.168 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: 1, replica: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -222.106589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.106589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.106589 (E_RNA) where: Base-Base interactions energy: -148.141 where: short stacking energy: -63.999 Base-Backbone interact. energy: -0.075 local terms energy: -73.890491 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -12.230 tors. eta vs tors. theta energy: -18.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -222.935302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.935302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.935302 (E_RNA) where: Base-Base interactions energy: -156.761 where: short stacking energy: -70.899 Base-Backbone interact. energy: 0.119 local terms energy: -66.292944 where: bonds (distance) C4'-P energy: -11.886 bonds (distance) P-C4' energy: -11.344 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -21.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -217.143917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.143917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.143917 (E_RNA) where: Base-Base interactions energy: -145.870 where: short stacking energy: -56.325 Base-Backbone interact. energy: -0.097 local terms energy: -71.176627 where: bonds (distance) C4'-P energy: -15.964 bonds (distance) P-C4' energy: -16.545 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -15.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -212.933470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.933470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.933470 (E_RNA) where: Base-Base interactions energy: -143.185 where: short stacking energy: -59.113 Base-Backbone interact. energy: -0.581 local terms energy: -69.167599 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -10.696 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: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -211.809827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.809827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.809827 (E_RNA) where: Base-Base interactions energy: -147.392 where: short stacking energy: -67.516 Base-Backbone interact. energy: -0.083 local terms energy: -64.334359 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -14.659 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -20.649 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: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -199.059724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.059724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.059724 (E_RNA) where: Base-Base interactions energy: -133.058 where: short stacking energy: -58.091 Base-Backbone interact. energy: -0.015 local terms energy: -65.986352 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -9.273 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: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -184.499755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.499755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.499755 (E_RNA) where: Base-Base interactions energy: -132.802 where: short stacking energy: -55.963 Base-Backbone interact. energy: -0.036 local terms energy: -51.661975 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -13.009 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -9.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -80.819894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.819894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.819894 (E_RNA) where: Base-Base interactions energy: -37.920 where: short stacking energy: -31.031 Base-Backbone interact. energy: 0.427 local terms energy: -43.327334 where: bonds (distance) C4'-P energy: -9.179 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -8.001 tors. eta vs tors. theta energy: 0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -85.714343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.714343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.714343 (E_RNA) where: Base-Base interactions energy: -35.199 where: short stacking energy: -35.199 Base-Backbone interact. energy: -0.093 local terms energy: -50.421942 where: bonds (distance) C4'-P energy: -9.969 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -11.455 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -7.175 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: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -59.952126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.952126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.952126 (E_RNA) where: Base-Base interactions energy: -13.965 where: short stacking energy: -13.708 Base-Backbone interact. energy: 0.097 local terms energy: -46.084731 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: 2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -223.277407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.277407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.277407 (E_RNA) where: Base-Base interactions energy: -150.941 where: short stacking energy: -69.703 Base-Backbone interact. energy: -0.003 local terms energy: -72.333400 where: bonds (distance) C4'-P energy: -11.270 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -15.899 flat angles P-C4'-P energy: -10.600 tors. eta vs tors. theta energy: -21.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -218.332142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.332142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.332142 (E_RNA) where: Base-Base interactions energy: -146.094 where: short stacking energy: -64.146 Base-Backbone interact. energy: -0.003 local terms energy: -72.234826 where: bonds (distance) C4'-P energy: -15.008 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -14.371 flat angles P-C4'-P energy: -9.977 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: 3, replica: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -216.475344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.475344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.475344 (E_RNA) where: Base-Base interactions energy: -149.227 where: short stacking energy: -61.042 Base-Backbone interact. energy: -0.001 local terms energy: -67.248152 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -14.046 flat angles C4'-P-C4' energy: -14.292 flat angles P-C4'-P energy: -12.502 tors. eta vs tors. theta energy: -15.680 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: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -208.844159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.844159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.844159 (E_RNA) where: Base-Base interactions energy: -137.455 where: short stacking energy: -65.102 Base-Backbone interact. energy: -0.011 local terms energy: -71.378511 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -12.970 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -10.782 tors. eta vs tors. theta energy: -19.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -211.630049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.630049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.630049 (E_RNA) where: Base-Base interactions energy: -146.583 where: short stacking energy: -65.055 Base-Backbone interact. energy: -0.188 local terms energy: -64.859357 where: bonds (distance) C4'-P energy: -8.202 bonds (distance) P-C4' energy: -11.689 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -11.630 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: 6, replica: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -202.591305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.591305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.591305 (E_RNA) where: Base-Base interactions energy: -134.750 where: short stacking energy: -59.800 Base-Backbone interact. energy: 0.237 local terms energy: -68.078403 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -18.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -183.288435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.288435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.288435 (E_RNA) where: Base-Base interactions energy: -128.075 where: short stacking energy: -54.047 Base-Backbone interact. energy: -0.046 local terms energy: -55.166916 where: bonds (distance) C4'-P energy: -9.382 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -12.968 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: 271 Temperature: 1.250000 Total energy: -79.455072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.455072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.455072 (E_RNA) where: Base-Base interactions energy: -32.667 where: short stacking energy: -30.559 Base-Backbone interact. energy: 0.042 local terms energy: -46.829380 where: bonds (distance) C4'-P energy: -15.447 bonds (distance) P-C4' energy: -8.935 flat angles C4'-P-C4' energy: -10.189 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -7.624 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: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -85.029242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.029242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.029242 (E_RNA) where: Base-Base interactions energy: -34.178 where: short stacking energy: -28.384 Base-Backbone interact. energy: 0.673 local terms energy: -51.524462 where: bonds (distance) C4'-P energy: -14.187 bonds (distance) P-C4' energy: -12.826 flat angles C4'-P-C4' energy: -14.199 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -71.005952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.005952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.005952 (E_RNA) where: Base-Base interactions energy: -25.707 where: short stacking energy: -25.707 Base-Backbone interact. energy: -0.168 local terms energy: -45.131016 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -12.131 flat angles C4'-P-C4' energy: -9.156 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -220.445173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.445173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.445173 (E_RNA) where: Base-Base interactions energy: -150.240 where: short stacking energy: -67.186 Base-Backbone interact. energy: -0.891 local terms energy: -69.314099 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -11.418 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: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -219.885154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.885154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.885154 (E_RNA) where: Base-Base interactions energy: -148.092 where: short stacking energy: -64.888 Base-Backbone interact. energy: -0.043 local terms energy: -71.749909 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.809 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -18.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -207.717370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.717370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.717370 (E_RNA) where: Base-Base interactions energy: -140.974 where: short stacking energy: -53.349 Base-Backbone interact. energy: -0.323 local terms energy: -66.420835 where: bonds (distance) C4'-P energy: -15.546 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -10.561 tors. eta vs tors. theta energy: -14.946 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: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -201.371943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.371943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.371943 (E_RNA) where: Base-Base interactions energy: -141.470 where: short stacking energy: -58.153 Base-Backbone interact. energy: -0.051 local terms energy: -59.851662 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -9.546 flat angles P-C4'-P energy: -11.627 tors. eta vs tors. theta energy: -14.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -213.619703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.619703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.619703 (E_RNA) where: Base-Base interactions energy: -149.493 where: short stacking energy: -66.126 Base-Backbone interact. energy: -0.212 local terms energy: -63.914714 where: bonds (distance) C4'-P energy: -12.856 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -7.965 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: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -198.332251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.332251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.332251 (E_RNA) where: Base-Base interactions energy: -138.319 where: short stacking energy: -53.918 Base-Backbone interact. energy: -0.155 local terms energy: -59.858474 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -12.912 tors. eta vs tors. theta energy: -13.189 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: 7, replica: 5 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -197.199900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.199900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.199900 (E_RNA) where: Base-Base interactions energy: -132.021 where: short stacking energy: -55.657 Base-Backbone interact. energy: -0.668 local terms energy: -64.510835 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -10.910 flat angles P-C4'-P energy: -8.747 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: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -74.439224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.439224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.439224 (E_RNA) where: Base-Base interactions energy: -29.271 where: short stacking energy: -29.271 Base-Backbone interact. energy: -0.052 local terms energy: -45.116736 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -10.649 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -78.112967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.112967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.112967 (E_RNA) where: Base-Base interactions energy: -38.496 where: short stacking energy: -31.462 Base-Backbone interact. energy: 2.626 local terms energy: -42.242439 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -5.525 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: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -71.280980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.280980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.280980 (E_RNA) where: Base-Base interactions energy: -25.038 where: short stacking energy: -25.038 Base-Backbone interact. energy: -0.732 local terms energy: -45.511882 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -228.254015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.254015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.254015 (E_RNA) where: Base-Base interactions energy: -155.338 where: short stacking energy: -68.178 Base-Backbone interact. energy: -0.002 local terms energy: -72.914047 where: bonds (distance) C4'-P energy: -15.244 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -19.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -215.613749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.613749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.613749 (E_RNA) where: Base-Base interactions energy: -148.576 where: short stacking energy: -64.818 Base-Backbone interact. energy: -0.545 local terms energy: -66.492784 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -11.426 flat angles C4'-P-C4' energy: -12.872 flat angles P-C4'-P energy: -9.506 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: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -215.292147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.292147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.292147 (E_RNA) where: Base-Base interactions energy: -144.301 where: short stacking energy: -63.155 Base-Backbone interact. energy: 0.101 local terms energy: -71.092298 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -15.376 flat angles P-C4'-P energy: -8.642 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: 4, replica: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -210.695273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.695273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.695273 (E_RNA) where: Base-Base interactions energy: -144.741 where: short stacking energy: -62.075 Base-Backbone interact. energy: -0.003 local terms energy: -65.951467 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -17.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -212.021233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.021233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.021233 (E_RNA) where: Base-Base interactions energy: -147.447 where: short stacking energy: -63.011 Base-Backbone interact. energy: -0.067 local terms energy: -64.507113 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -13.002 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -10.446 tors. eta vs tors. theta energy: -17.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -198.227988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.227988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.227988 (E_RNA) where: Base-Base interactions energy: -134.688 where: short stacking energy: -56.487 Base-Backbone interact. energy: -0.301 local terms energy: -63.238508 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -10.569 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -10.226 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: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -192.358058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.358058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.358058 (E_RNA) where: Base-Base interactions energy: -133.153 where: short stacking energy: -53.603 Base-Backbone interact. energy: -0.688 local terms energy: -58.517776 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -9.711 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -9.663 tors. eta vs tors. theta energy: -13.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -84.108265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.108265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.108265 (E_RNA) where: Base-Base interactions energy: -37.009 where: short stacking energy: -37.009 Base-Backbone interact. energy: -0.182 local terms energy: -46.917318 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -10.062 flat angles P-C4'-P energy: -10.783 tors. eta vs tors. theta energy: -4.398 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: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -74.170270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.170270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.170270 (E_RNA) where: Base-Base interactions energy: -28.336 where: short stacking energy: -26.175 Base-Backbone interact. energy: -0.306 local terms energy: -45.528148 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: 3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -66.207710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.207710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.207710 (E_RNA) where: Base-Base interactions energy: -22.013 where: short stacking energy: -17.470 Base-Backbone interact. energy: -0.203 local terms energy: -43.991674 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -7.095 tors. eta vs tors. theta energy: -1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -220.883266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.883266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.883266 (E_RNA) where: Base-Base interactions energy: -147.964 where: short stacking energy: -65.137 Base-Backbone interact. energy: -0.771 local terms energy: -72.147979 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -14.417 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -213.008836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.008836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.008836 (E_RNA) where: Base-Base interactions energy: -141.022 where: short stacking energy: -63.683 Base-Backbone interact. energy: -0.004 local terms energy: -71.982264 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -15.502 flat angles P-C4'-P energy: -12.353 tors. eta vs tors. theta energy: -18.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -217.571122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.571122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.571122 (E_RNA) where: Base-Base interactions energy: -149.043 where: short stacking energy: -62.332 Base-Backbone interact. energy: -0.006 local terms energy: -68.522281 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -12.560 flat angles P-C4'-P energy: -10.451 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: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -213.829982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.829982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.829982 (E_RNA) where: Base-Base interactions energy: -147.475 where: short stacking energy: -60.906 Base-Backbone interact. energy: -0.100 local terms energy: -66.254379 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -9.468 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: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -204.573559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.573559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.573559 (E_RNA) where: Base-Base interactions energy: -138.667 where: short stacking energy: -54.740 Base-Backbone interact. energy: -0.297 local terms energy: -65.609743 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -8.957 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: 6, replica: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -204.239302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.239302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.239302 (E_RNA) where: Base-Base interactions energy: -146.321 where: short stacking energy: -59.420 Base-Backbone interact. energy: -0.271 local terms energy: -57.647361 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -15.706 flat angles P-C4'-P energy: -7.754 tors. eta vs tors. theta energy: -13.853 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: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -198.465734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.465734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.465734 (E_RNA) where: Base-Base interactions energy: -136.973 where: short stacking energy: -58.609 Base-Backbone interact. energy: 0.900 local terms energy: -62.392894 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -9.303 flat angles C4'-P-C4' energy: -14.050 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -76.965811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.965811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.965811 (E_RNA) where: Base-Base interactions energy: -25.558 where: short stacking energy: -25.558 Base-Backbone interact. energy: 1.593 local terms energy: -53.001036 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -16.541 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -89.221647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.221647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.221647 (E_RNA) where: Base-Base interactions energy: -46.490 where: short stacking energy: -46.490 Base-Backbone interact. energy: -0.027 local terms energy: -42.704658 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -7.722 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: 274 Temperature: 1.350000 Total energy: -76.590460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.590460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.590460 (E_RNA) where: Base-Base interactions energy: -34.108 where: short stacking energy: -34.108 Base-Backbone interact. energy: -0.107 local terms energy: -42.374844 where: bonds (distance) C4'-P energy: -8.696 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -7.328 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -219.692857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.692857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.692857 (E_RNA) where: Base-Base interactions energy: -150.597 where: short stacking energy: -69.625 Base-Backbone interact. energy: -0.130 local terms energy: -68.965396 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -21.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -219.373151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.373151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.373151 (E_RNA) where: Base-Base interactions energy: -155.881 where: short stacking energy: -69.763 Base-Backbone interact. energy: -0.005 local terms energy: -63.486615 where: bonds (distance) C4'-P energy: -11.382 bonds (distance) P-C4' energy: -9.968 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -19.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -214.227559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.227559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.227559 (E_RNA) where: Base-Base interactions energy: -145.668 where: short stacking energy: -66.312 Base-Backbone interact. energy: -0.098 local terms energy: -68.461626 where: bonds (distance) C4'-P energy: -10.934 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.467 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -204.986015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.986015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.986015 (E_RNA) where: Base-Base interactions energy: -152.283 where: short stacking energy: -64.399 Base-Backbone interact. energy: -0.005 local terms energy: -52.697549 where: bonds (distance) C4'-P energy: -9.008 bonds (distance) P-C4' energy: -8.938 flat angles C4'-P-C4' energy: -9.492 flat angles P-C4'-P energy: -9.378 tors. eta vs tors. theta energy: -15.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -207.110286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.110286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.110286 (E_RNA) where: Base-Base interactions energy: -139.889 where: short stacking energy: -56.117 Base-Backbone interact. energy: -0.095 local terms energy: -67.126778 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -12.363 flat angles P-C4'-P energy: -9.208 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: 6, replica: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -200.444439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.444439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.444439 (E_RNA) where: Base-Base interactions energy: -142.054 where: short stacking energy: -57.238 Base-Backbone interact. energy: -0.222 local terms energy: -58.168987 where: bonds (distance) C4'-P energy: -9.249 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -7.875 tors. eta vs tors. theta energy: -14.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -202.735089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.735089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.735089 (E_RNA) where: Base-Base interactions energy: -137.637 where: short stacking energy: -59.431 Base-Backbone interact. energy: -0.053 local terms energy: -65.045361 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -11.286 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -16.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -76.683775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.683775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.683775 (E_RNA) where: Base-Base interactions energy: -37.589 where: short stacking energy: -27.417 Base-Backbone interact. energy: -0.176 local terms energy: -38.919245 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -11.181 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -0.513 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: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -78.270832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.270832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.270832 (E_RNA) where: Base-Base interactions energy: -29.223 where: short stacking energy: -27.319 Base-Backbone interact. energy: -0.366 local terms energy: -48.681577 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -9.591 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -2.664 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: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -80.195551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.195551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.195551 (E_RNA) where: Base-Base interactions energy: -34.327 where: short stacking energy: -34.327 Base-Backbone interact. energy: -0.096 local terms energy: -45.773005 where: bonds (distance) C4'-P energy: -12.631 bonds (distance) P-C4' energy: -10.132 flat angles C4'-P-C4' energy: -11.925 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -220.901854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.901854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.901854 (E_RNA) where: Base-Base interactions energy: -153.073 where: short stacking energy: -68.336 Base-Backbone interact. energy: 0.284 local terms energy: -68.113377 where: bonds (distance) C4'-P energy: -10.664 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -15.420 flat angles P-C4'-P energy: -9.453 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: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -213.428689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.428689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.428689 (E_RNA) where: Base-Base interactions energy: -151.084 where: short stacking energy: -69.079 Base-Backbone interact. energy: -0.148 local terms energy: -62.196137 where: bonds (distance) C4'-P energy: -9.250 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -18.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -222.004356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.004356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.004356 (E_RNA) where: Base-Base interactions energy: -149.009 where: short stacking energy: -67.038 Base-Backbone interact. energy: -0.034 local terms energy: -72.961900 where: bonds (distance) C4'-P energy: -11.670 bonds (distance) P-C4' energy: -16.848 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -205.725582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.725582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.725582 (E_RNA) where: Base-Base interactions energy: -142.071 where: short stacking energy: -63.659 Base-Backbone interact. energy: -0.298 local terms energy: -63.355885 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -9.461 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: -15.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -210.568327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.568327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.568327 (E_RNA) where: Base-Base interactions energy: -141.487 where: short stacking energy: -60.696 Base-Backbone interact. energy: -0.008 local terms energy: -69.073019 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -9.460 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: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -206.673818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.673818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.673818 (E_RNA) where: Base-Base interactions energy: -139.051 where: short stacking energy: -54.555 Base-Backbone interact. energy: -0.041 local terms energy: -67.581795 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -13.868 flat angles P-C4'-P energy: -7.488 tors. eta vs tors. theta energy: -17.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -201.883985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.883985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.883985 (E_RNA) where: Base-Base interactions energy: -141.633 where: short stacking energy: -57.317 Base-Backbone interact. energy: -0.210 local terms energy: -60.040842 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -7.955 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: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -86.079282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.079282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.079282 (E_RNA) where: Base-Base interactions energy: -34.685 where: short stacking energy: -34.685 Base-Backbone interact. energy: 0.668 local terms energy: -52.061693 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -85.697385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.697385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.697385 (E_RNA) where: Base-Base interactions energy: -40.051 where: short stacking energy: -40.051 Base-Backbone interact. energy: -0.054 local terms energy: -45.592637 where: bonds (distance) C4'-P energy: -9.527 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -7.517 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: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -66.294526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.294526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.294526 (E_RNA) where: Base-Base interactions energy: -27.704 where: short stacking energy: -20.381 Base-Backbone interact. energy: -0.013 local terms energy: -38.577713 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -7.446 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -224.229405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.229405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.229405 (E_RNA) where: Base-Base interactions energy: -158.316 where: short stacking energy: -70.996 Base-Backbone interact. energy: -0.056 local terms energy: -65.857420 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -10.093 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -19.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -216.654329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.654329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.654329 (E_RNA) where: Base-Base interactions energy: -146.330 where: short stacking energy: -65.737 Base-Backbone interact. energy: 0.781 local terms energy: -71.105373 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -11.669 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: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -210.801560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.801560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.801560 (E_RNA) where: Base-Base interactions energy: -145.073 where: short stacking energy: -62.179 Base-Backbone interact. energy: -0.016 local terms energy: -65.712815 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -15.561 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: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -207.056697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.056697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.056697 (E_RNA) where: Base-Base interactions energy: -141.943 where: short stacking energy: -61.510 Base-Backbone interact. energy: -0.000 local terms energy: -65.113407 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -16.747 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: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -204.013670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.013670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.013670 (E_RNA) where: Base-Base interactions energy: -136.669 where: short stacking energy: -53.029 Base-Backbone interact. energy: -0.111 local terms energy: -67.234399 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -11.879 tors. eta vs tors. theta energy: -13.801 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: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -207.338226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.338226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.338226 (E_RNA) where: Base-Base interactions energy: -143.264 where: short stacking energy: -66.431 Base-Backbone interact. energy: -0.026 local terms energy: -64.048054 where: bonds (distance) C4'-P energy: -11.578 bonds (distance) P-C4' energy: -10.774 flat angles C4'-P-C4' energy: -9.979 flat angles P-C4'-P energy: -12.545 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: 7, replica: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -198.466373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.466373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.466373 (E_RNA) where: Base-Base interactions energy: -141.490 where: short stacking energy: -59.667 Base-Backbone interact. energy: -0.928 local terms energy: -56.048131 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -12.117 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -9.566 tors. eta vs tors. theta energy: -14.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -83.127728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.127728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.127728 (E_RNA) where: Base-Base interactions energy: -35.564 where: short stacking energy: -28.471 Base-Backbone interact. energy: -0.551 local terms energy: -47.012476 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -11.615 flat angles C4'-P-C4' energy: -13.872 flat angles P-C4'-P energy: -7.214 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: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -78.647447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.647447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.647447 (E_RNA) where: Base-Base interactions energy: -33.395 where: short stacking energy: -27.986 Base-Backbone interact. energy: -0.026 local terms energy: -45.226635 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -8.791 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -71.359440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.359440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.359440 (E_RNA) where: Base-Base interactions energy: -27.378 where: short stacking energy: -17.257 Base-Backbone interact. energy: -0.871 local terms energy: -43.111031 where: bonds (distance) C4'-P energy: -12.967 bonds (distance) P-C4' energy: -13.170 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -9.909 tors. eta vs tors. theta energy: 1.104 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: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -228.420478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.420478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.420478 (E_RNA) where: Base-Base interactions energy: -154.480 where: short stacking energy: -68.810 Base-Backbone interact. energy: -0.787 local terms energy: -73.153314 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -20.575 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: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -215.996636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.996636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.996636 (E_RNA) where: Base-Base interactions energy: -146.318 where: short stacking energy: -67.184 Base-Backbone interact. energy: -0.023 local terms energy: -69.655811 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -11.774 tors. eta vs tors. theta energy: -15.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -212.183707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.183707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.183707 (E_RNA) where: Base-Base interactions energy: -141.859 where: short stacking energy: -66.543 Base-Backbone interact. energy: -1.522 local terms energy: -68.801858 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -10.451 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: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -203.345945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.345945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.345945 (E_RNA) where: Base-Base interactions energy: -140.502 where: short stacking energy: -59.750 Base-Backbone interact. energy: -0.095 local terms energy: -62.749798 where: bonds (distance) C4'-P energy: -10.920 bonds (distance) P-C4' energy: -10.399 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -11.903 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: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -209.063447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.063447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.063447 (E_RNA) where: Base-Base interactions energy: -146.002 where: short stacking energy: -67.054 Base-Backbone interact. energy: -0.005 local terms energy: -63.056629 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -10.737 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -17.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -199.348979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.348979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.348979 (E_RNA) where: Base-Base interactions energy: -139.940 where: short stacking energy: -55.737 Base-Backbone interact. energy: -0.077 local terms energy: -59.331229 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -12.436 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: 7, replica: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -195.421540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.421540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.421540 (E_RNA) where: Base-Base interactions energy: -131.727 where: short stacking energy: -54.548 Base-Backbone interact. energy: -0.205 local terms energy: -63.490187 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -15.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -74.494047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.494047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.494047 (E_RNA) where: Base-Base interactions energy: -26.695 where: short stacking energy: -26.695 Base-Backbone interact. energy: -0.016 local terms energy: -47.783418 where: bonds (distance) C4'-P energy: -15.030 bonds (distance) P-C4' energy: -11.782 flat angles C4'-P-C4' energy: -10.454 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -6.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -87.444558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.444558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.444558 (E_RNA) where: Base-Base interactions energy: -41.923 where: short stacking energy: -37.543 Base-Backbone interact. energy: -0.016 local terms energy: -45.505827 where: bonds (distance) C4'-P energy: -8.749 bonds (distance) P-C4' energy: -9.470 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -5.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -89.466695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.466695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.466695 (E_RNA) where: Base-Base interactions energy: -44.653 where: short stacking energy: -44.466 Base-Backbone interact. energy: -0.145 local terms energy: -44.668688 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -12.089 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -8.514 tors. eta vs tors. theta energy: -9.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -225.055707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.055707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.055707 (E_RNA) where: Base-Base interactions energy: -155.751 where: short stacking energy: -66.782 Base-Backbone interact. energy: -0.001 local terms energy: -69.304101 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -13.936 flat angles P-C4'-P energy: -8.045 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: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -216.540966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.540966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.540966 (E_RNA) where: Base-Base interactions energy: -144.113 where: short stacking energy: -63.390 Base-Backbone interact. energy: -0.095 local terms energy: -72.332873 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -11.879 tors. eta vs tors. theta energy: -17.893 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: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -219.487173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.487173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.487173 (E_RNA) where: Base-Base interactions energy: -145.883 where: short stacking energy: -62.011 Base-Backbone interact. energy: -0.666 local terms energy: -72.937345 where: bonds (distance) C4'-P energy: -14.545 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -7.591 tors. eta vs tors. theta energy: -19.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -213.481577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.481577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.481577 (E_RNA) where: Base-Base interactions energy: -144.401 where: short stacking energy: -59.131 Base-Backbone interact. energy: -0.239 local terms energy: -68.841165 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -15.378 flat angles P-C4'-P energy: -10.149 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: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -202.683615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.683615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.683615 (E_RNA) where: Base-Base interactions energy: -139.357 where: short stacking energy: -59.155 Base-Backbone interact. energy: -0.878 local terms energy: -62.447912 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -12.611 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -15.426 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: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -205.663279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.663279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.663279 (E_RNA) where: Base-Base interactions energy: -135.019 where: short stacking energy: -62.668 Base-Backbone interact. energy: -0.129 local terms energy: -70.514563 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -12.133 tors. eta vs tors. theta energy: -18.458 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: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -202.237405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.237405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.237405 (E_RNA) where: Base-Base interactions energy: -139.461 where: short stacking energy: -55.104 Base-Backbone interact. energy: -0.220 local terms energy: -62.556743 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -15.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -92.088631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.088631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.088631 (E_RNA) where: Base-Base interactions energy: -49.417 where: short stacking energy: -22.348 Base-Backbone interact. energy: -0.141 local terms energy: -42.530041 where: bonds (distance) C4'-P energy: -9.125 bonds (distance) P-C4' energy: -8.581 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -77.281419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.281419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.281419 (E_RNA) where: Base-Base interactions energy: -35.661 where: short stacking energy: -30.849 Base-Backbone interact. energy: 3.421 local terms energy: -45.041897 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -6.319 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: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -73.859406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.859406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.859406 (E_RNA) where: Base-Base interactions energy: -28.150 where: short stacking energy: -26.567 Base-Backbone interact. energy: -0.193 local terms energy: -45.516677 where: bonds (distance) C4'-P energy: -10.002 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: 0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -219.350468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.350468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.350468 (E_RNA) where: Base-Base interactions energy: -148.749 where: short stacking energy: -62.897 Base-Backbone interact. energy: -0.003 local terms energy: -70.598837 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -8.773 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: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -216.590043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.590043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.590043 (E_RNA) where: Base-Base interactions energy: -144.895 where: short stacking energy: -68.611 Base-Backbone interact. energy: -0.013 local terms energy: -71.682115 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -20.022 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: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -219.502466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.502466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.502466 (E_RNA) where: Base-Base interactions energy: -144.293 where: short stacking energy: -63.041 Base-Backbone interact. energy: -0.629 local terms energy: -74.580804 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -20.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -210.658838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.658838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.658838 (E_RNA) where: Base-Base interactions energy: -143.541 where: short stacking energy: -56.937 Base-Backbone interact. energy: -0.129 local terms energy: -66.989104 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -12.084 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -12.090 tors. eta vs tors. theta energy: -14.157 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: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -208.128188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.128188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.128188 (E_RNA) where: Base-Base interactions energy: -141.611 where: short stacking energy: -62.498 Base-Backbone interact. energy: -0.336 local terms energy: -66.180978 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -199.864182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.864182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.864182 (E_RNA) where: Base-Base interactions energy: -137.972 where: short stacking energy: -57.292 Base-Backbone interact. energy: -0.089 local terms energy: -61.803600 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -18.987 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: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -208.411116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.411116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.411116 (E_RNA) where: Base-Base interactions energy: -143.143 where: short stacking energy: -61.928 Base-Backbone interact. energy: 0.011 local terms energy: -65.278914 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -13.931 flat angles P-C4'-P energy: -8.510 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: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -87.286375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.286375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.286375 (E_RNA) where: Base-Base interactions energy: -37.488 where: short stacking energy: -23.313 Base-Backbone interact. energy: -0.139 local terms energy: -49.659093 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -13.365 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -73.980834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.980834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.980834 (E_RNA) where: Base-Base interactions energy: -28.128 where: short stacking energy: -25.597 Base-Backbone interact. energy: 0.554 local terms energy: -46.406656 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -8.089 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -66.219380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.219380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.219380 (E_RNA) where: Base-Base interactions energy: -27.952 where: short stacking energy: -6.638 Base-Backbone interact. energy: -0.136 local terms energy: -38.131793 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -9.487 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: 3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -217.340801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.340801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.340801 (E_RNA) where: Base-Base interactions energy: -148.954 where: short stacking energy: -60.468 Base-Backbone interact. energy: -0.014 local terms energy: -68.373387 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -16.704 flat angles P-C4'-P energy: -11.915 tors. eta vs tors. theta energy: -15.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -222.370824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.370824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.370824 (E_RNA) where: Base-Base interactions energy: -151.645 where: short stacking energy: -64.107 Base-Backbone interact. energy: -0.045 local terms energy: -70.680208 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -18.521 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: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -215.794558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.794558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.794558 (E_RNA) where: Base-Base interactions energy: -140.300 where: short stacking energy: -63.624 Base-Backbone interact. energy: -1.737 local terms energy: -73.757496 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -14.069 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -12.048 tors. eta vs tors. theta energy: -20.996 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: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -215.075501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.075501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.075501 (E_RNA) where: Base-Base interactions energy: -148.536 where: short stacking energy: -63.608 Base-Backbone interact. energy: -0.854 local terms energy: -65.686163 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -16.075 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: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -199.602959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.602959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.602959 (E_RNA) where: Base-Base interactions energy: -132.848 where: short stacking energy: -55.168 Base-Backbone interact. energy: -0.040 local terms energy: -66.714370 where: bonds (distance) C4'-P energy: -15.248 bonds (distance) P-C4' energy: -10.607 flat angles C4'-P-C4' energy: -13.706 flat angles P-C4'-P energy: -10.293 tors. eta vs tors. theta energy: -16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -190.317368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.317368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.317368 (E_RNA) where: Base-Base interactions energy: -132.144 where: short stacking energy: -55.049 Base-Backbone interact. energy: -0.014 local terms energy: -58.159170 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -14.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -199.154556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.154556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.154556 (E_RNA) where: Base-Base interactions energy: -135.115 where: short stacking energy: -59.565 Base-Backbone interact. energy: -0.044 local terms energy: -63.995302 where: bonds (distance) C4'-P energy: -13.265 bonds (distance) P-C4' energy: -9.183 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -9.838 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: 8, replica: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -82.623423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.623423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.623423 (E_RNA) where: Base-Base interactions energy: -27.751 where: short stacking energy: -27.751 Base-Backbone interact. energy: -0.100 local terms energy: -54.771765 where: bonds (distance) C4'-P energy: -12.701 bonds (distance) P-C4' energy: -15.595 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -9.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -79.291433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.291433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.291433 (E_RNA) where: Base-Base interactions energy: -33.335 where: short stacking energy: -28.419 Base-Backbone interact. energy: -0.217 local terms energy: -45.739223 where: bonds (distance) C4'-P energy: -10.922 bonds (distance) P-C4' energy: -12.277 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -6.875 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: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -71.194810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.194810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.194810 (E_RNA) where: Base-Base interactions energy: -25.219 where: short stacking energy: -25.219 Base-Backbone interact. energy: -0.083 local terms energy: -45.893086 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -9.279 flat angles C4'-P-C4' energy: -15.248 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -222.003978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.003978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.003978 (E_RNA) where: Base-Base interactions energy: -149.283 where: short stacking energy: -66.142 Base-Backbone interact. energy: -0.011 local terms energy: -72.709247 where: bonds (distance) C4'-P energy: -11.692 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -16.356 flat angles P-C4'-P energy: -9.272 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: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -211.329224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.329224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.329224 (E_RNA) where: Base-Base interactions energy: -144.019 where: short stacking energy: -63.523 Base-Backbone interact. energy: -0.078 local terms energy: -67.232254 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -10.443 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -208.728118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.728118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.728118 (E_RNA) where: Base-Base interactions energy: -140.381 where: short stacking energy: -61.334 Base-Backbone interact. energy: -0.093 local terms energy: -68.254547 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -11.248 tors. eta vs tors. theta energy: -16.273 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: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -204.534678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.534678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.534678 (E_RNA) where: Base-Base interactions energy: -144.057 where: short stacking energy: -59.690 Base-Backbone interact. energy: -0.384 local terms energy: -60.093971 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -11.636 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -10.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -207.556459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.556459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.556459 (E_RNA) where: Base-Base interactions energy: -138.851 where: short stacking energy: -59.213 Base-Backbone interact. energy: -0.002 local terms energy: -68.703627 where: bonds (distance) C4'-P energy: -15.926 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -11.746 tors. eta vs tors. theta energy: -15.820 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: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -198.254570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.254570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.254570 (E_RNA) where: Base-Base interactions energy: -139.300 where: short stacking energy: -60.354 Base-Backbone interact. energy: -0.159 local terms energy: -58.794763 where: bonds (distance) C4'-P energy: -11.604 bonds (distance) P-C4' energy: -10.084 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -14.977 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: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -91.489517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.489517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.489517 (E_RNA) where: Base-Base interactions energy: -35.368 where: short stacking energy: -35.368 Base-Backbone interact. energy: 0.025 local terms energy: -56.146615 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -11.882 flat angles P-C4'-P energy: -11.193 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -189.614662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.614662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.614662 (E_RNA) where: Base-Base interactions energy: -129.644 where: short stacking energy: -56.213 Base-Backbone interact. energy: -0.066 local terms energy: -59.903782 where: bonds (distance) C4'-P energy: -12.374 bonds (distance) P-C4' energy: -9.409 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -10.933 tors. eta vs tors. theta energy: -16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -78.026466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.026466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.026466 (E_RNA) where: Base-Base interactions energy: -35.371 where: short stacking energy: -32.610 Base-Backbone interact. energy: -0.099 local terms energy: -42.556827 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -0.693 tors. eta vs tors. theta energy: -6.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -70.579838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.579838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.579838 (E_RNA) where: Base-Base interactions energy: -30.837 where: short stacking energy: -30.837 Base-Backbone interact. energy: -0.053 local terms energy: -39.689166 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -10.478 flat angles C4'-P-C4' energy: -10.368 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -3.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -221.966157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.966157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.966157 (E_RNA) where: Base-Base interactions energy: -148.088 where: short stacking energy: -66.621 Base-Backbone interact. energy: -0.158 local terms energy: -73.720577 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -15.191 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -21.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -212.723926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.723926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.723926 (E_RNA) where: Base-Base interactions energy: -143.531 where: short stacking energy: -60.289 Base-Backbone interact. energy: -0.151 local terms energy: -69.041754 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -20.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -215.231851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.231851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.231851 (E_RNA) where: Base-Base interactions energy: -146.522 where: short stacking energy: -61.366 Base-Backbone interact. energy: -0.036 local terms energy: -68.673774 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -13.227 flat angles C4'-P-C4' energy: -16.458 flat angles P-C4'-P energy: -9.622 tors. eta vs tors. theta energy: -16.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -209.157079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.157079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.157079 (E_RNA) where: Base-Base interactions energy: -143.323 where: short stacking energy: -62.523 Base-Backbone interact. energy: -0.072 local terms energy: -65.761834 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -12.055 flat angles C4'-P-C4' energy: -12.340 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -17.817 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: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -208.751348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.751348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.751348 (E_RNA) where: Base-Base interactions energy: -147.090 where: short stacking energy: -67.237 Base-Backbone interact. energy: -0.002 local terms energy: -61.659195 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -5.306 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: 6, replica: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -193.154549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.154549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.154549 (E_RNA) where: Base-Base interactions energy: -131.230 where: short stacking energy: -48.874 Base-Backbone interact. energy: -0.087 local terms energy: -61.837007 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -12.808 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -10.983 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: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -83.039850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.039850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.039850 (E_RNA) where: Base-Base interactions energy: -33.522 where: short stacking energy: -33.522 Base-Backbone interact. energy: -0.040 local terms energy: -49.478255 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -8.224 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: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -194.942799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.942799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.942799 (E_RNA) where: Base-Base interactions energy: -141.794 where: short stacking energy: -59.863 Base-Backbone interact. energy: -0.280 local terms energy: -52.869388 where: bonds (distance) C4'-P energy: -2.833 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -13.268 flat angles P-C4'-P energy: -6.514 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: 9, replica: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -77.348961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.348961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.348961 (E_RNA) where: Base-Base interactions energy: -27.554 where: short stacking energy: -23.515 Base-Backbone interact. energy: -0.654 local terms energy: -49.141003 where: bonds (distance) C4'-P energy: -15.339 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -10.759 flat angles P-C4'-P energy: -6.980 tors. eta vs tors. theta energy: -2.122 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: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -78.906556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.906556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.906556 (E_RNA) where: Base-Base interactions energy: -29.881 where: short stacking energy: -28.891 Base-Backbone interact. energy: -0.120 local terms energy: -48.905817 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -227.609697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.609697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.609697 (E_RNA) where: Base-Base interactions energy: -155.932 where: short stacking energy: -68.170 Base-Backbone interact. energy: -0.300 local terms energy: -71.378216 where: bonds (distance) C4'-P energy: -13.824 bonds (distance) P-C4' energy: -11.897 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -20.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -213.545678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.545678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.545678 (E_RNA) where: Base-Base interactions energy: -148.137 where: short stacking energy: -62.102 Base-Backbone interact. energy: -0.139 local terms energy: -65.269222 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -17.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -209.327638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.327638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.327638 (E_RNA) where: Base-Base interactions energy: -139.889 where: short stacking energy: -64.930 Base-Backbone interact. energy: -0.001 local terms energy: -69.438135 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -17.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -211.632451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.632451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.632451 (E_RNA) where: Base-Base interactions energy: -144.762 where: short stacking energy: -64.332 Base-Backbone interact. energy: -0.185 local terms energy: -66.685000 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -10.678 tors. eta vs tors. theta energy: -19.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -199.878530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.878530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.878530 (E_RNA) where: Base-Base interactions energy: -136.322 where: short stacking energy: -59.871 Base-Backbone interact. energy: -0.120 local terms energy: -63.436350 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -14.883 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: 10 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -204.159639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.159639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.159639 (E_RNA) where: Base-Base interactions energy: -141.402 where: short stacking energy: -61.565 Base-Backbone interact. energy: -0.107 local terms energy: -62.650822 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -7.962 tors. eta vs tors. theta energy: -16.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -203.001840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.001840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.001840 (E_RNA) where: Base-Base interactions energy: -139.238 where: short stacking energy: -60.572 Base-Backbone interact. energy: -0.008 local terms energy: -63.756514 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -9.948 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -17.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -79.789987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.789987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.789987 (E_RNA) where: Base-Base interactions energy: -33.119 where: short stacking energy: -32.120 Base-Backbone interact. energy: -0.092 local terms energy: -46.578790 where: bonds (distance) C4'-P energy: -11.025 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -9.310 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -6.964 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: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -72.620819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.620819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.620819 (E_RNA) where: Base-Base interactions energy: -31.462 where: short stacking energy: -30.544 Base-Backbone interact. energy: 1.694 local terms energy: -42.853066 where: bonds (distance) C4'-P energy: -8.414 bonds (distance) P-C4' energy: -10.901 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -2.891 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: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -71.545184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.545184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.545184 (E_RNA) where: Base-Base interactions energy: -28.273 where: short stacking energy: -28.273 Base-Backbone interact. energy: -0.150 local terms energy: -43.122821 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -0.818 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: 285 Temperature: 0.900000 Total energy: -219.863390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.863390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.863390 (E_RNA) where: Base-Base interactions energy: -150.129 where: short stacking energy: -62.891 Base-Backbone interact. energy: -0.004 local terms energy: -69.730797 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -13.565 flat angles P-C4'-P energy: -9.973 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: 2, replica: 4 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -215.233484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.233484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.233484 (E_RNA) where: Base-Base interactions energy: -147.792 where: short stacking energy: -60.988 Base-Backbone interact. energy: -0.065 local terms energy: -67.376301 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -17.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -216.837468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.837468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.837468 (E_RNA) where: Base-Base interactions energy: -152.996 where: short stacking energy: -68.182 Base-Backbone interact. energy: -0.099 local terms energy: -63.742701 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -11.474 flat angles C4'-P-C4' energy: -11.318 flat angles P-C4'-P energy: -7.418 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: 4, replica: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -205.881743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.881743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.881743 (E_RNA) where: Base-Base interactions energy: -135.173 where: short stacking energy: -56.989 Base-Backbone interact. energy: -0.102 local terms energy: -70.606780 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -6.693 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: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -207.211434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.211434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.211434 (E_RNA) where: Base-Base interactions energy: -142.485 where: short stacking energy: -59.840 Base-Backbone interact. energy: -0.081 local terms energy: -64.645700 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -6.388 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: 6, replica: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -202.241745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.241745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.241745 (E_RNA) where: Base-Base interactions energy: -144.928 where: short stacking energy: -54.829 Base-Backbone interact. energy: -0.469 local terms energy: -56.844926 where: bonds (distance) C4'-P energy: -8.943 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -7.513 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: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -209.650899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.650899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.650899 (E_RNA) where: Base-Base interactions energy: -137.221 where: short stacking energy: -63.839 Base-Backbone interact. energy: -0.003 local terms energy: -72.426090 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -16.327 flat angles P-C4'-P energy: -8.945 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: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -90.403005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.403005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.403005 (E_RNA) where: Base-Base interactions energy: -38.974 where: short stacking energy: -37.796 Base-Backbone interact. energy: -0.173 local terms energy: -51.255797 where: bonds (distance) C4'-P energy: -11.195 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -10.939 tors. eta vs tors. theta energy: -2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -89.860418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.860418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.860418 (E_RNA) where: Base-Base interactions energy: -40.409 where: short stacking energy: -37.451 Base-Backbone interact. energy: -0.001 local terms energy: -49.451123 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -11.242 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -10.814 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: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -92.886648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.886648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.886648 (E_RNA) where: Base-Base interactions energy: -46.722 where: short stacking energy: -21.129 Base-Backbone interact. energy: -0.381 local terms energy: -45.783818 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -12.516 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -4.252 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: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -211.129930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.129930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.129930 (E_RNA) where: Base-Base interactions energy: -144.235 where: short stacking energy: -64.118 Base-Backbone interact. energy: -1.184 local terms energy: -65.711313 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -10.492 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -12.261 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: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -219.588880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.588880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.588880 (E_RNA) where: Base-Base interactions energy: -149.613 where: short stacking energy: -66.129 Base-Backbone interact. energy: -0.187 local terms energy: -69.789286 where: bonds (distance) C4'-P energy: -13.663 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -18.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -210.050478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.050478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.050478 (E_RNA) where: Base-Base interactions energy: -142.711 where: short stacking energy: -63.819 Base-Backbone interact. energy: -0.309 local terms energy: -67.030330 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -12.718 flat angles P-C4'-P energy: -10.037 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: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -211.806022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.806022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.806022 (E_RNA) where: Base-Base interactions energy: -146.418 where: short stacking energy: -65.425 Base-Backbone interact. energy: -0.004 local terms energy: -65.384389 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -9.882 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -9.066 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: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -209.168882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.168882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.168882 (E_RNA) where: Base-Base interactions energy: -142.629 where: short stacking energy: -65.621 Base-Backbone interact. energy: -0.065 local terms energy: -66.475143 where: bonds (distance) C4'-P energy: -8.877 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -9.983 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: 6, replica: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -207.997153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.997153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.997153 (E_RNA) where: Base-Base interactions energy: -140.408 where: short stacking energy: -58.580 Base-Backbone interact. energy: -0.575 local terms energy: -67.014094 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -9.975 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -21.644 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: 5 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -198.074957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.074957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.074957 (E_RNA) where: Base-Base interactions energy: -138.408 where: short stacking energy: -59.685 Base-Backbone interact. energy: -0.123 local terms energy: -59.543595 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -18.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -78.059190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.059190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.059190 (E_RNA) where: Base-Base interactions energy: -27.392 where: short stacking energy: -22.422 Base-Backbone interact. energy: -0.025 local terms energy: -50.642417 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -12.786 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -6.790 tors. eta vs tors. theta energy: -7.797 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: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -74.619226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.619226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.619226 (E_RNA) where: Base-Base interactions energy: -27.714 where: short stacking energy: -25.511 Base-Backbone interact. energy: -0.150 local terms energy: -46.755103 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -9.977 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -3.629 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: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -75.385882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.385882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.385882 (E_RNA) where: Base-Base interactions energy: -32.744 where: short stacking energy: -18.758 Base-Backbone interact. energy: -0.230 local terms energy: -42.412096 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -11.865 flat angles C4'-P-C4' energy: -11.180 flat angles P-C4'-P energy: -10.750 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: 1, replica: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -224.588701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.588701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.588701 (E_RNA) where: Base-Base interactions energy: -150.605 where: short stacking energy: -65.684 Base-Backbone interact. energy: -0.003 local terms energy: -73.981122 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -15.597 flat angles C4'-P-C4' energy: -15.258 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -19.906 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: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -215.101807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.101807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.101807 (E_RNA) where: Base-Base interactions energy: -147.164 where: short stacking energy: -62.541 Base-Backbone interact. energy: -0.054 local terms energy: -67.883709 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -18.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -215.532229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.532229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.532229 (E_RNA) where: Base-Base interactions energy: -145.921 where: short stacking energy: -68.228 Base-Backbone interact. energy: -0.006 local terms energy: -69.605722 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -12.117 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -21.777 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: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -214.004232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.004232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.004232 (E_RNA) where: Base-Base interactions energy: -144.106 where: short stacking energy: -58.825 Base-Backbone interact. energy: -0.007 local terms energy: -69.890927 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -16.132 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -10.502 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: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -202.189866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.189866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.189866 (E_RNA) where: Base-Base interactions energy: -133.576 where: short stacking energy: -55.967 Base-Backbone interact. energy: 0.488 local terms energy: -69.101865 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -15.988 flat angles P-C4'-P energy: -9.912 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: 6, replica: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -198.292388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.292388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.292388 (E_RNA) where: Base-Base interactions energy: -134.526 where: short stacking energy: -52.360 Base-Backbone interact. energy: -0.022 local terms energy: -63.744197 where: bonds (distance) C4'-P energy: -12.167 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -8.982 flat angles P-C4'-P energy: -8.753 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: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -194.193739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.193739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.193739 (E_RNA) where: Base-Base interactions energy: -130.923 where: short stacking energy: -58.211 Base-Backbone interact. energy: 0.079 local terms energy: -63.350438 where: bonds (distance) C4'-P energy: -12.391 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -7.781 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: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -78.153813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.153813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.153813 (E_RNA) where: Base-Base interactions energy: -25.068 where: short stacking energy: -25.068 Base-Backbone interact. energy: -0.302 local terms energy: -52.784028 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -6.723 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: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -75.408000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.408000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.408000 (E_RNA) where: Base-Base interactions energy: -28.044 where: short stacking energy: -28.044 Base-Backbone interact. energy: 0.003 local terms energy: -47.367545 where: bonds (distance) C4'-P energy: -10.661 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -70.744782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.744782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.744782 (E_RNA) where: Base-Base interactions energy: -24.140 where: short stacking energy: -24.140 Base-Backbone interact. energy: -0.049 local terms energy: -46.556597 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: -7.240 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: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -219.103625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.103625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.103625 (E_RNA) where: Base-Base interactions energy: -145.317 where: short stacking energy: -64.147 Base-Backbone interact. energy: -0.001 local terms energy: -73.785968 where: bonds (distance) C4'-P energy: -14.722 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -14.956 flat angles P-C4'-P energy: -12.133 tors. eta vs tors. theta energy: -18.302 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: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -219.442246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.442246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.442246 (E_RNA) where: Base-Base interactions energy: -151.076 where: short stacking energy: -68.611 Base-Backbone interact. energy: -0.022 local terms energy: -68.344739 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.188 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -19.380 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: 288 Temperature: 1.000000 Total energy: -207.393953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.393953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.393953 (E_RNA) where: Base-Base interactions energy: -142.005 where: short stacking energy: -57.067 Base-Backbone interact. energy: -0.244 local terms energy: -65.144127 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -9.506 tors. eta vs tors. theta energy: -16.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -208.936110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.936110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.936110 (E_RNA) where: Base-Base interactions energy: -138.277 where: short stacking energy: -58.221 Base-Backbone interact. energy: 0.027 local terms energy: -70.686006 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -15.983 flat angles P-C4'-P energy: -7.748 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: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -212.152029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.152029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.152029 (E_RNA) where: Base-Base interactions energy: -143.269 where: short stacking energy: -59.826 Base-Backbone interact. energy: -0.075 local terms energy: -68.807607 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: -18.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -201.847114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.847114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.847114 (E_RNA) where: Base-Base interactions energy: -145.763 where: short stacking energy: -54.795 Base-Backbone interact. energy: -0.119 local terms energy: -55.965134 where: bonds (distance) C4'-P energy: -9.374 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -13.562 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: 288 Temperature: 1.200000 Total energy: -200.848835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.848835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.848835 (E_RNA) where: Base-Base interactions energy: -143.052 where: short stacking energy: -61.773 Base-Backbone interact. energy: -0.103 local terms energy: -57.693818 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -13.367 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -18.831 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: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -92.801377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.801377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.801377 (E_RNA) where: Base-Base interactions energy: -36.767 where: short stacking energy: -36.767 Base-Backbone interact. energy: -0.262 local terms energy: -55.773011 where: bonds (distance) C4'-P energy: -12.056 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -8.050 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: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -77.741736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.741736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.741736 (E_RNA) where: Base-Base interactions energy: -28.238 where: short stacking energy: -28.238 Base-Backbone interact. energy: 0.875 local terms energy: -50.378347 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -12.033 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -4.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -64.554306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.554306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.554306 (E_RNA) where: Base-Base interactions energy: -18.690 where: short stacking energy: -18.690 Base-Backbone interact. energy: -0.162 local terms energy: -45.702742 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -11.101 flat angles C4'-P-C4' energy: -11.323 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -213.998450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.998450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.998450 (E_RNA) where: Base-Base interactions energy: -149.439 where: short stacking energy: -65.190 Base-Backbone interact. energy: -0.218 local terms energy: -64.342023 where: bonds (distance) C4'-P energy: -13.144 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -17.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -224.910575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.910575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.910575 (E_RNA) where: Base-Base interactions energy: -153.782 where: short stacking energy: -66.841 Base-Backbone interact. energy: -0.045 local terms energy: -71.084386 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -15.644 flat angles P-C4'-P energy: -12.082 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: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -211.066880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.066880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.066880 (E_RNA) where: Base-Base interactions energy: -149.621 where: short stacking energy: -62.013 Base-Backbone interact. energy: -2.229 local terms energy: -59.216990 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -11.202 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -15.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -216.077931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.077931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.077931 (E_RNA) where: Base-Base interactions energy: -148.124 where: short stacking energy: -59.808 Base-Backbone interact. energy: 0.359 local terms energy: -68.313336 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -14.933 flat angles C4'-P-C4' energy: -15.454 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -17.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -202.225339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.225339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.225339 (E_RNA) where: Base-Base interactions energy: -143.122 where: short stacking energy: -60.656 Base-Backbone interact. energy: -0.103 local terms energy: -59.000673 where: bonds (distance) C4'-P energy: -8.776 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -12.726 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -16.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -204.568326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.568326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.568326 (E_RNA) where: Base-Base interactions energy: -134.608 where: short stacking energy: -57.021 Base-Backbone interact. energy: -0.097 local terms energy: -69.863550 where: bonds (distance) C4'-P energy: -14.516 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -12.216 tors. eta vs tors. theta energy: -17.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -197.845664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.845664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.845664 (E_RNA) where: Base-Base interactions energy: -135.390 where: short stacking energy: -56.634 Base-Backbone interact. energy: -0.132 local terms energy: -62.323628 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -12.390 tors. eta vs tors. theta energy: -13.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -76.737661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.737661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.737661 (E_RNA) where: Base-Base interactions energy: -33.693 where: short stacking energy: -27.870 Base-Backbone interact. energy: -0.041 local terms energy: -43.004069 where: bonds (distance) C4'-P energy: -9.426 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -76.280520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.280520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.280520 (E_RNA) where: Base-Base interactions energy: -27.231 where: short stacking energy: -25.488 Base-Backbone interact. energy: -0.815 local terms energy: -48.235192 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -9.282 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -0.702 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: 289 Temperature: 1.350000 Total energy: -81.554030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.554030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.554030 (E_RNA) where: Base-Base interactions energy: -31.633 where: short stacking energy: -31.633 Base-Backbone interact. energy: -0.077 local terms energy: -49.844220 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -219.768210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.768210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.768210 (E_RNA) where: Base-Base interactions energy: -150.943 where: short stacking energy: -64.267 Base-Backbone interact. energy: -0.594 local terms energy: -68.231398 where: bonds (distance) C4'-P energy: -10.789 bonds (distance) P-C4' energy: -11.865 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -10.104 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: 4 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -219.097737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.097737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.097737 (E_RNA) where: Base-Base interactions energy: -148.823 where: short stacking energy: -65.868 Base-Backbone interact. energy: -0.004 local terms energy: -70.271291 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -20.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -213.272700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.272700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.272700 (E_RNA) where: Base-Base interactions energy: -143.280 where: short stacking energy: -61.918 Base-Backbone interact. energy: -0.002 local terms energy: -69.990547 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -12.984 flat angles C4'-P-C4' energy: -14.375 flat angles P-C4'-P energy: -12.521 tors. eta vs tors. theta energy: -16.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -209.425778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.425778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.425778 (E_RNA) where: Base-Base interactions energy: -144.256 where: short stacking energy: -63.335 Base-Backbone interact. energy: -0.257 local terms energy: -64.913425 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -20.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -207.595284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.595284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.595284 (E_RNA) where: Base-Base interactions energy: -141.978 where: short stacking energy: -60.797 Base-Backbone interact. energy: -0.001 local terms energy: -65.616150 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -14.130 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -18.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -199.167379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.167379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.167379 (E_RNA) where: Base-Base interactions energy: -138.762 where: short stacking energy: -60.065 Base-Backbone interact. energy: -0.067 local terms energy: -60.337758 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -9.689 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: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -189.430392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.430392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.430392 (E_RNA) where: Base-Base interactions energy: -134.182 where: short stacking energy: -53.860 Base-Backbone interact. energy: -0.005 local terms energy: -55.243054 where: bonds (distance) C4'-P energy: -10.040 bonds (distance) P-C4' energy: -9.058 flat angles C4'-P-C4' energy: -14.060 flat angles P-C4'-P energy: -9.869 tors. eta vs tors. theta energy: -12.215 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: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -82.069296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.069296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.069296 (E_RNA) where: Base-Base interactions energy: -31.538 where: short stacking energy: -31.838 Base-Backbone interact. energy: -0.201 local terms energy: -50.329921 where: bonds (distance) C4'-P energy: -11.899 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -86.030137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.030137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.030137 (E_RNA) where: Base-Base interactions energy: -45.471 where: short stacking energy: -31.686 Base-Backbone interact. energy: -0.030 local terms energy: -40.529129 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -10.354 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -71.974985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.974985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.974985 (E_RNA) where: Base-Base interactions energy: -24.992 where: short stacking energy: -22.325 Base-Backbone interact. energy: -0.211 local terms energy: -46.771729 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -15.525 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -0.457 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: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -215.224013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.224013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.224013 (E_RNA) where: Base-Base interactions energy: -150.759 where: short stacking energy: -64.612 Base-Backbone interact. energy: -0.409 local terms energy: -64.056461 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -13.527 flat angles P-C4'-P energy: -9.185 tors. eta vs tors. theta energy: -13.805 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: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -221.879883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.879883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.879883 (E_RNA) where: Base-Base interactions energy: -151.711 where: short stacking energy: -66.810 Base-Backbone interact. energy: -0.575 local terms energy: -69.593883 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -12.034 flat angles P-C4'-P energy: -11.913 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: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -216.069043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.069043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.069043 (E_RNA) where: Base-Base interactions energy: -141.948 where: short stacking energy: -62.359 Base-Backbone interact. energy: -0.624 local terms energy: -73.496661 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -15.715 flat angles P-C4'-P energy: -13.585 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: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -203.919886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.919886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.919886 (E_RNA) where: Base-Base interactions energy: -138.832 where: short stacking energy: -58.395 Base-Backbone interact. energy: -0.120 local terms energy: -64.967371 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -10.518 flat angles P-C4'-P energy: -7.706 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: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -213.035364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.035364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.035364 (E_RNA) where: Base-Base interactions energy: -151.437 where: short stacking energy: -68.928 Base-Backbone interact. energy: -0.012 local terms energy: -61.586638 where: bonds (distance) C4'-P energy: -9.654 bonds (distance) P-C4' energy: -10.998 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -205.135727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.135727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.135727 (E_RNA) where: Base-Base interactions energy: -140.808 where: short stacking energy: -55.750 Base-Backbone interact. energy: -1.087 local terms energy: -63.240444 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -14.248 flat angles C4'-P-C4' energy: -12.059 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -14.408 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: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -203.302311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.302311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.302311 (E_RNA) where: Base-Base interactions energy: -143.116 where: short stacking energy: -61.244 Base-Backbone interact. energy: -0.365 local terms energy: -59.821136 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -11.817 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -7.082 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: 8, replica: 8 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -84.182651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.182651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.182651 (E_RNA) where: Base-Base interactions energy: -35.708 where: short stacking energy: -35.708 Base-Backbone interact. energy: 0.576 local terms energy: -49.050065 where: bonds (distance) C4'-P energy: -10.926 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -8.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -76.662776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.662776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.662776 (E_RNA) where: Base-Base interactions energy: -30.778 where: short stacking energy: -30.778 Base-Backbone interact. energy: -0.011 local terms energy: -45.873986 where: bonds (distance) C4'-P energy: -16.485 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -12.274 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -0.591 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: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -72.141388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.141388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.141388 (E_RNA) where: Base-Base interactions energy: -33.800 where: short stacking energy: -30.793 Base-Backbone interact. energy: -0.007 local terms energy: -38.334638 where: bonds (distance) C4'-P energy: -8.649 bonds (distance) P-C4' energy: -11.043 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -2.062 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: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -220.976499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.976499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.976499 (E_RNA) where: Base-Base interactions energy: -148.629 where: short stacking energy: -58.666 Base-Backbone interact. energy: -0.579 local terms energy: -71.768088 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -10.751 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: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -213.219907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.219907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.219907 (E_RNA) where: Base-Base interactions energy: -153.033 where: short stacking energy: -67.222 Base-Backbone interact. energy: -0.019 local terms energy: -60.167965 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -14.238 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -6.218 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: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -216.922343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.922343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.922343 (E_RNA) where: Base-Base interactions energy: -150.116 where: short stacking energy: -66.106 Base-Backbone interact. energy: -0.133 local terms energy: -66.673617 where: bonds (distance) C4'-P energy: -8.115 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -15.126 flat angles P-C4'-P energy: -11.044 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: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -205.492869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.492869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.492869 (E_RNA) where: Base-Base interactions energy: -143.129 where: short stacking energy: -58.014 Base-Backbone interact. energy: -0.201 local terms energy: -62.162765 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -11.887 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -14.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -193.892238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.892238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.892238 (E_RNA) where: Base-Base interactions energy: -129.225 where: short stacking energy: -51.245 Base-Backbone interact. energy: -0.143 local terms energy: -64.524655 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -15.710 flat angles P-C4'-P energy: -10.769 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: 6, replica: 10 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -210.816142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.816142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.816142 (E_RNA) where: Base-Base interactions energy: -142.666 where: short stacking energy: -68.893 Base-Backbone interact. energy: -0.002 local terms energy: -68.147539 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -8.650 tors. eta vs tors. theta energy: -18.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -183.909501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.909501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.909501 (E_RNA) where: Base-Base interactions energy: -130.175 where: short stacking energy: -52.526 Base-Backbone interact. energy: -0.260 local terms energy: -53.474374 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -15.576 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -75.244001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.244001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.244001 (E_RNA) where: Base-Base interactions energy: -24.986 where: short stacking energy: -21.306 Base-Backbone interact. energy: -0.014 local terms energy: -50.243871 where: bonds (distance) C4'-P energy: -11.860 bonds (distance) P-C4' energy: -13.199 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -5.189 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: 292 Temperature: 1.300000 Total energy: -76.366739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.366739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.366739 (E_RNA) where: Base-Base interactions energy: -34.729 where: short stacking energy: -23.571 Base-Backbone interact. energy: 0.403 local terms energy: -42.040409 where: bonds (distance) C4'-P energy: -7.120 bonds (distance) P-C4' energy: -14.288 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -2.508 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: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -71.545299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.545299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.545299 (E_RNA) where: Base-Base interactions energy: -27.758 where: short stacking energy: -27.758 Base-Backbone interact. energy: -0.007 local terms energy: -43.780169 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -8.792 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: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -219.558158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.558158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.558158 (E_RNA) where: Base-Base interactions energy: -148.586 where: short stacking energy: -65.535 Base-Backbone interact. energy: -0.060 local terms energy: -70.911602 where: bonds (distance) C4'-P energy: -10.525 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -19.537 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: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -218.645248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.645248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.645248 (E_RNA) where: Base-Base interactions energy: -149.687 where: short stacking energy: -67.678 Base-Backbone interact. energy: -0.012 local terms energy: -68.945690 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -10.801 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: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -221.916776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.916776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.916776 (E_RNA) where: Base-Base interactions energy: -151.812 where: short stacking energy: -63.673 Base-Backbone interact. energy: -0.600 local terms energy: -69.505333 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -10.944 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: 4, replica: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -211.516620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.516620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.516620 (E_RNA) where: Base-Base interactions energy: -137.915 where: short stacking energy: -57.843 Base-Backbone interact. energy: 0.292 local terms energy: -73.893434 where: bonds (distance) C4'-P energy: -16.369 bonds (distance) P-C4' energy: -10.191 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -20.456 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: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -210.951599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.951599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.951599 (E_RNA) where: Base-Base interactions energy: -144.545 where: short stacking energy: -60.680 Base-Backbone interact. energy: -0.098 local terms energy: -66.309389 where: bonds (distance) C4'-P energy: -10.003 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -11.635 tors. eta vs tors. theta energy: -17.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -205.041452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.041452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.041452 (E_RNA) where: Base-Base interactions energy: -133.451 where: short stacking energy: -64.924 Base-Backbone interact. energy: -0.096 local terms energy: -71.494087 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -13.712 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -19.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -180.700996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.700996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.700996 (E_RNA) where: Base-Base interactions energy: -113.200 where: short stacking energy: -47.892 Base-Backbone interact. energy: -0.128 local terms energy: -67.373659 where: bonds (distance) C4'-P energy: -16.283 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -13.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -116.593432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.593432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.593432 (E_RNA) where: Base-Base interactions energy: -73.014 where: short stacking energy: -39.858 Base-Backbone interact. energy: -0.182 local terms energy: -43.397063 where: bonds (distance) C4'-P energy: -9.998 bonds (distance) P-C4' energy: -8.871 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -4.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -90.624073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.624073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.624073 (E_RNA) where: Base-Base interactions energy: -37.313 where: short stacking energy: -30.679 Base-Backbone interact. energy: -0.064 local terms energy: -53.246329 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -10.189 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -10.907 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: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -89.663432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.663432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.663432 (E_RNA) where: Base-Base interactions energy: -38.871 where: short stacking energy: -35.107 Base-Backbone interact. energy: -0.090 local terms energy: -50.702717 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -9.777 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -225.917678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.917678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.917678 (E_RNA) where: Base-Base interactions energy: -146.772 where: short stacking energy: -62.985 Base-Backbone interact. energy: -0.028 local terms energy: -79.117711 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -12.950 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: 2, replica: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -212.618896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.618896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.618896 (E_RNA) where: Base-Base interactions energy: -146.376 where: short stacking energy: -67.122 Base-Backbone interact. energy: -0.746 local terms energy: -65.496712 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -18.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -214.237827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.237827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.237827 (E_RNA) where: Base-Base interactions energy: -144.307 where: short stacking energy: -63.960 Base-Backbone interact. energy: -0.338 local terms energy: -69.592711 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -15.763 flat angles C4'-P-C4' energy: -15.930 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -18.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -209.384387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.384387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.384387 (E_RNA) where: Base-Base interactions energy: -141.975 where: short stacking energy: -61.705 Base-Backbone interact. energy: -0.114 local terms energy: -67.295618 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -18.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -207.232425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.232425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.232425 (E_RNA) where: Base-Base interactions energy: -142.750 where: short stacking energy: -61.265 Base-Backbone interact. energy: 0.057 local terms energy: -64.540034 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -9.018 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -18.514 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: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -204.807278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.807278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.807278 (E_RNA) where: Base-Base interactions energy: -135.667 where: short stacking energy: -60.449 Base-Backbone interact. energy: -0.028 local terms energy: -69.111650 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -9.505 tors. eta vs tors. theta energy: -19.408 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: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -202.878899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.878899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.878899 (E_RNA) where: Base-Base interactions energy: -136.864 where: short stacking energy: -60.065 Base-Backbone interact. energy: -0.067 local terms energy: -65.948407 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -15.086 flat angles C4'-P-C4' energy: -9.248 flat angles P-C4'-P energy: -10.642 tors. eta vs tors. theta energy: -17.133 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: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -153.686723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.686723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.686723 (E_RNA) where: Base-Base interactions energy: -92.601 where: short stacking energy: -42.152 Base-Backbone interact. energy: -0.044 local terms energy: -61.041400 where: bonds (distance) C4'-P energy: -15.911 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -8.722 tors. eta vs tors. theta energy: -10.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -74.742825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.742825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.742825 (E_RNA) where: Base-Base interactions energy: -35.721 where: short stacking energy: -32.818 Base-Backbone interact. energy: -0.036 local terms energy: -38.985469 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -1.074 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -1.472 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: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -69.498850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.498850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.498850 (E_RNA) where: Base-Base interactions energy: -28.632 where: short stacking energy: -28.538 Base-Backbone interact. energy: 2.275 local terms energy: -43.141722 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -6.636 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -221.822080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.822080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.822080 (E_RNA) where: Base-Base interactions energy: -154.141 where: short stacking energy: -64.994 Base-Backbone interact. energy: -0.156 local terms energy: -67.525166 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -13.524 flat angles C4'-P-C4' energy: -13.902 flat angles P-C4'-P energy: -12.545 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: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -219.497255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.497255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.497255 (E_RNA) where: Base-Base interactions energy: -149.951 where: short stacking energy: -66.462 Base-Backbone interact. energy: -0.035 local terms energy: -69.511036 where: bonds (distance) C4'-P energy: -11.357 bonds (distance) P-C4' energy: -11.970 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -10.398 tors. eta vs tors. theta energy: -21.471 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: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -218.238834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.238834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.238834 (E_RNA) where: Base-Base interactions energy: -147.943 where: short stacking energy: -64.688 Base-Backbone interact. energy: -0.100 local terms energy: -70.195845 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -15.394 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -19.090 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: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -220.050652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.050652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.050652 (E_RNA) where: Base-Base interactions energy: -147.350 where: short stacking energy: -65.667 Base-Backbone interact. energy: -0.808 local terms energy: -71.892808 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -14.573 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -12.318 tors. eta vs tors. theta energy: -19.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -211.367534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.367534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.367534 (E_RNA) where: Base-Base interactions energy: -146.248 where: short stacking energy: -64.848 Base-Backbone interact. energy: -0.027 local terms energy: -65.091900 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -14.607 flat angles P-C4'-P energy: -8.610 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: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -205.288734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.288734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.288734 (E_RNA) where: Base-Base interactions energy: -137.440 where: short stacking energy: -61.178 Base-Backbone interact. energy: -0.009 local terms energy: -67.840529 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -7.986 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: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -204.176846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.176846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.176846 (E_RNA) where: Base-Base interactions energy: -137.348 where: short stacking energy: -61.485 Base-Backbone interact. energy: -0.453 local terms energy: -66.375654 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -19.151 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: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -154.528241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.528241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.528241 (E_RNA) where: Base-Base interactions energy: -92.841 where: short stacking energy: -43.901 Base-Backbone interact. energy: -0.691 local terms energy: -60.996255 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -11.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -77.959094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.959094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.959094 (E_RNA) where: Base-Base interactions energy: -32.707 where: short stacking energy: -32.707 Base-Backbone interact. energy: -0.113 local terms energy: -45.139280 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -74.342538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.342538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.342538 (E_RNA) where: Base-Base interactions energy: -29.242 where: short stacking energy: -29.242 Base-Backbone interact. energy: -0.021 local terms energy: -45.078766 where: bonds (distance) C4'-P energy: -10.835 bonds (distance) P-C4' energy: -10.059 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -219.874687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.874687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.874687 (E_RNA) where: Base-Base interactions energy: -145.775 where: short stacking energy: -66.271 Base-Backbone interact. energy: -0.009 local terms energy: -74.091550 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -13.844 tors. eta vs tors. theta energy: -22.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -217.396671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.396671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.396671 (E_RNA) where: Base-Base interactions energy: -146.216 where: short stacking energy: -66.011 Base-Backbone interact. energy: -0.268 local terms energy: -70.912224 where: bonds (distance) C4'-P energy: -12.280 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -16.732 flat angles P-C4'-P energy: -10.704 tors. eta vs tors. theta energy: -19.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -221.553435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.553435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.553435 (E_RNA) where: Base-Base interactions energy: -149.080 where: short stacking energy: -65.233 Base-Backbone interact. energy: -0.002 local terms energy: -72.471516 where: bonds (distance) C4'-P energy: -14.291 bonds (distance) P-C4' energy: -10.906 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -19.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -211.612687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.612687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.612687 (E_RNA) where: Base-Base interactions energy: -141.925 where: short stacking energy: -63.836 Base-Backbone interact. energy: -0.157 local terms energy: -69.529898 where: bonds (distance) C4'-P energy: -15.785 bonds (distance) P-C4' energy: -13.538 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -19.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -207.594445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.594445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.594445 (E_RNA) where: Base-Base interactions energy: -145.415 where: short stacking energy: -63.633 Base-Backbone interact. energy: -0.035 local terms energy: -62.144250 where: bonds (distance) C4'-P energy: -9.278 bonds (distance) P-C4' energy: -14.245 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -7.942 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: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -206.939767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.939767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.939767 (E_RNA) where: Base-Base interactions energy: -143.428 where: short stacking energy: -60.442 Base-Backbone interact. energy: -0.537 local terms energy: -62.974739 where: bonds (distance) C4'-P energy: -11.833 bonds (distance) P-C4' energy: -10.036 flat angles C4'-P-C4' energy: -11.946 flat angles P-C4'-P energy: -12.509 tors. eta vs tors. theta energy: -16.650 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: 7, replica: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -198.416065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.416065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.416065 (E_RNA) where: Base-Base interactions energy: -139.266 where: short stacking energy: -57.617 Base-Backbone interact. energy: -0.110 local terms energy: -59.039444 where: bonds (distance) C4'-P energy: -14.399 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -8.895 flat angles P-C4'-P energy: -11.620 tors. eta vs tors. theta energy: -12.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -198.542054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.542054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.542054 (E_RNA) where: Base-Base interactions energy: -132.510 where: short stacking energy: -53.012 Base-Backbone interact. energy: -0.053 local terms energy: -65.979250 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -9.230 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: 9, replica: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -78.787892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.787892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.787892 (E_RNA) where: Base-Base interactions energy: -35.050 where: short stacking energy: -35.050 Base-Backbone interact. energy: -0.328 local terms energy: -43.409042 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -7.440 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: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -72.320037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.320037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.320037 (E_RNA) where: Base-Base interactions energy: -33.214 where: short stacking energy: -30.688 Base-Backbone interact. energy: -0.982 local terms energy: -38.124502 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -7.884 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -2.323 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: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -219.976203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.976203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.976203 (E_RNA) where: Base-Base interactions energy: -152.304 where: short stacking energy: -67.095 Base-Backbone interact. energy: -0.298 local terms energy: -67.373980 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -13.886 flat angles C4'-P-C4' energy: -14.302 flat angles P-C4'-P energy: -8.406 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: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -211.870648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.870648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.870648 (E_RNA) where: Base-Base interactions energy: -144.456 where: short stacking energy: -63.563 Base-Backbone interact. energy: -0.000 local terms energy: -67.414654 where: bonds (distance) C4'-P energy: -13.861 bonds (distance) P-C4' energy: -16.045 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -7.590 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: 3, replica: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -210.576848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.576848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.576848 (E_RNA) where: Base-Base interactions energy: -143.666 where: short stacking energy: -64.044 Base-Backbone interact. energy: -0.576 local terms energy: -66.334769 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -6.793 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: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -217.624030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.624030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.624030 (E_RNA) where: Base-Base interactions energy: -147.584 where: short stacking energy: -65.954 Base-Backbone interact. energy: -1.162 local terms energy: -68.878298 where: bonds (distance) C4'-P energy: -14.141 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -18.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -205.488847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.488847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.488847 (E_RNA) where: Base-Base interactions energy: -138.346 where: short stacking energy: -61.232 Base-Backbone interact. energy: -0.619 local terms energy: -66.523977 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -15.964 flat angles P-C4'-P energy: -7.328 tors. eta vs tors. theta energy: -16.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -213.076637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.076637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.076637 (E_RNA) where: Base-Base interactions energy: -146.170 where: short stacking energy: -65.471 Base-Backbone interact. energy: -0.005 local terms energy: -66.902319 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -18.201 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: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -193.911267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.911267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.911267 (E_RNA) where: Base-Base interactions energy: -137.927 where: short stacking energy: -52.000 Base-Backbone interact. energy: -0.101 local terms energy: -55.883496 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -12.452 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -16.251 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: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -191.059989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.059989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.059989 (E_RNA) where: Base-Base interactions energy: -130.594 where: short stacking energy: -50.658 Base-Backbone interact. energy: -0.261 local terms energy: -60.204710 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -13.995 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: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -75.697193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.697193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.697193 (E_RNA) where: Base-Base interactions energy: -29.874 where: short stacking energy: -29.874 Base-Backbone interact. energy: -0.098 local terms energy: -45.724548 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -10.763 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -72.368212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.368212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.368212 (E_RNA) where: Base-Base interactions energy: -28.332 where: short stacking energy: -21.363 Base-Backbone interact. energy: -0.373 local terms energy: -43.663665 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -6.186 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: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -214.901323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.901323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.901323 (E_RNA) where: Base-Base interactions energy: -146.890 where: short stacking energy: -58.205 Base-Backbone interact. energy: -0.001 local terms energy: -68.009719 where: bonds (distance) C4'-P energy: -15.563 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -17.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -218.873754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.873754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.873754 (E_RNA) where: Base-Base interactions energy: -151.910 where: short stacking energy: -69.482 Base-Backbone interact. energy: 0.558 local terms energy: -67.521681 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -12.189 flat angles C4'-P-C4' energy: -13.633 flat angles P-C4'-P energy: -8.757 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: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -214.190561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.190561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.190561 (E_RNA) where: Base-Base interactions energy: -151.593 where: short stacking energy: -65.559 Base-Backbone interact. energy: -0.042 local terms energy: -62.555579 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -11.845 flat angles C4'-P-C4' energy: -11.185 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -17.294 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: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -213.515002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.515002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.515002 (E_RNA) where: Base-Base interactions energy: -145.688 where: short stacking energy: -66.634 Base-Backbone interact. energy: 0.423 local terms energy: -68.250023 where: bonds (distance) C4'-P energy: -11.927 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -11.222 flat angles P-C4'-P energy: -12.394 tors. eta vs tors. theta energy: -18.459 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: 298 Temperature: 1.100000 Total energy: -206.493206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.493206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.493206 (E_RNA) where: Base-Base interactions energy: -139.791 where: short stacking energy: -65.275 Base-Backbone interact. energy: -1.272 local terms energy: -65.430543 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -11.234 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -7.326 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: 6, replica: 9 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -196.547996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.547996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.547996 (E_RNA) where: Base-Base interactions energy: -139.781 where: short stacking energy: -64.044 Base-Backbone interact. energy: 0.946 local terms energy: -57.713031 where: bonds (distance) C4'-P energy: -14.367 bonds (distance) P-C4' energy: -8.992 flat angles C4'-P-C4' energy: -9.708 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -17.052 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: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -197.211710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.211710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.211710 (E_RNA) where: Base-Base interactions energy: -133.115 where: short stacking energy: -57.579 Base-Backbone interact. energy: -0.561 local terms energy: -63.535195 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -10.462 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -9.610 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: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -186.269014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.269014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.269014 (E_RNA) where: Base-Base interactions energy: -128.442 where: short stacking energy: -49.886 Base-Backbone interact. energy: -0.595 local terms energy: -57.232166 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -11.921 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -12.537 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: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -75.011797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.011797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.011797 (E_RNA) where: Base-Base interactions energy: -35.162 where: short stacking energy: -32.511 Base-Backbone interact. energy: 2.539 local terms energy: -42.387978 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -8.430 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: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -82.957110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.957110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.957110 (E_RNA) where: Base-Base interactions energy: -32.397 where: short stacking energy: -32.397 Base-Backbone interact. energy: 0.322 local terms energy: -50.882219 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -7.721 tors. eta vs tors. theta energy: -2.998 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: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -216.917308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.917308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.917308 (E_RNA) where: Base-Base interactions energy: -145.953 where: short stacking energy: -62.415 Base-Backbone interact. energy: -0.000 local terms energy: -70.963691 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -9.525 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: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -220.361256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.361256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.361256 (E_RNA) where: Base-Base interactions energy: -144.980 where: short stacking energy: -66.560 Base-Backbone interact. energy: -0.012 local terms energy: -75.369267 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -16.902 flat angles P-C4'-P energy: -10.959 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: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -217.392653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.392653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.392653 (E_RNA) where: Base-Base interactions energy: -145.416 where: short stacking energy: -61.547 Base-Backbone interact. energy: -1.030 local terms energy: -70.947505 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -10.056 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: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -217.087714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.087714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.087714 (E_RNA) where: Base-Base interactions energy: -150.789 where: short stacking energy: -72.482 Base-Backbone interact. energy: -0.056 local terms energy: -66.243384 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -11.915 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -19.277 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: 5, replica: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -213.992518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.992518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.992518 (E_RNA) where: Base-Base interactions energy: -147.944 where: short stacking energy: -61.264 Base-Backbone interact. energy: -0.305 local terms energy: -65.743032 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -15.148 flat angles P-C4'-P energy: -10.259 tors. eta vs tors. theta energy: -12.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -194.399757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.399757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.399757 (E_RNA) where: Base-Base interactions energy: -132.856 where: short stacking energy: -56.081 Base-Backbone interact. energy: -0.040 local terms energy: -61.503578 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -12.904 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -7.271 tors. eta vs tors. theta energy: -14.526 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: 7, replica: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -200.465251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.465251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.465251 (E_RNA) where: Base-Base interactions energy: -146.290 where: short stacking energy: -62.048 Base-Backbone interact. energy: -0.187 local terms energy: -53.988720 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -10.657 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -8.315 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: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -182.746530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.746530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.746530 (E_RNA) where: Base-Base interactions energy: -131.052 where: short stacking energy: -50.839 Base-Backbone interact. energy: -0.291 local terms energy: -51.403157 where: bonds (distance) C4'-P energy: -14.573 bonds (distance) P-C4' energy: -10.951 flat angles C4'-P-C4' energy: -11.470 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -9.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -82.995165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.995165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.995165 (E_RNA) where: Base-Base interactions energy: -39.430 where: short stacking energy: -30.431 Base-Backbone interact. energy: -0.661 local terms energy: -42.903711 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -74.595243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.595243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.595243 (E_RNA) where: Base-Base interactions energy: -34.143 where: short stacking energy: -34.143 Base-Backbone interact. energy: -0.117 local terms energy: -40.335358 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -226.625202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.625202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.625202 (E_RNA) where: Base-Base interactions energy: -152.874 where: short stacking energy: -61.189 Base-Backbone interact. energy: -0.001 local terms energy: -73.749469 where: bonds (distance) C4'-P energy: -15.310 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -15.466 flat angles P-C4'-P energy: -12.794 tors. eta vs tors. theta energy: -16.546 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: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -221.389004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.389004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.389004 (E_RNA) where: Base-Base interactions energy: -149.877 where: short stacking energy: -66.255 Base-Backbone interact. energy: -0.031 local terms energy: -71.481069 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -11.413 tors. eta vs tors. theta energy: -17.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -216.118514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.118514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.118514 (E_RNA) where: Base-Base interactions energy: -146.664 where: short stacking energy: -62.552 Base-Backbone interact. energy: -0.001 local terms energy: -69.453835 where: bonds (distance) C4'-P energy: -16.010 bonds (distance) P-C4' energy: -10.144 flat angles C4'-P-C4' energy: -15.509 flat angles P-C4'-P energy: -9.896 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: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -208.130807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.130807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.130807 (E_RNA) where: Base-Base interactions energy: -144.197 where: short stacking energy: -59.569 Base-Backbone interact. energy: 0.052 local terms energy: -63.986320 where: bonds (distance) C4'-P energy: -8.716 bonds (distance) P-C4' energy: -14.521 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -16.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -205.381367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.381367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.381367 (E_RNA) where: Base-Base interactions energy: -145.168 where: short stacking energy: -58.357 Base-Backbone interact. energy: -0.049 local terms energy: -60.163839 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -8.535 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: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -203.869531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.869531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.869531 (E_RNA) where: Base-Base interactions energy: -136.555 where: short stacking energy: -62.332 Base-Backbone interact. energy: -0.003 local terms energy: -67.312392 where: bonds (distance) C4'-P energy: -13.025 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -16.593 flat angles P-C4'-P energy: -6.534 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: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -208.832889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.832889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.832889 (E_RNA) where: Base-Base interactions energy: -146.110 where: short stacking energy: -63.315 Base-Backbone interact. energy: -0.049 local terms energy: -62.674228 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -10.602 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -17.482 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: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -191.825696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.825696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.825696 (E_RNA) where: Base-Base interactions energy: -133.670 where: short stacking energy: -55.499 Base-Backbone interact. energy: -0.108 local terms energy: -58.047537 where: bonds (distance) C4'-P energy: -9.667 bonds (distance) P-C4' energy: -9.623 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -10.124 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: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -86.461959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.461959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.461959 (E_RNA) where: Base-Base interactions energy: -36.583 where: short stacking energy: -36.583 Base-Backbone interact. energy: -0.024 local terms energy: -49.855033 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -10.191 flat angles P-C4'-P energy: -10.552 tors. eta vs tors. theta energy: -6.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -75.300406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.300406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.300406 (E_RNA) where: Base-Base interactions energy: -34.679 where: short stacking energy: -34.679 Base-Backbone interact. energy: -0.133 local terms energy: -40.488299 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -219.923771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.923771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.923771 (E_RNA) where: Base-Base interactions energy: -148.152 where: short stacking energy: -70.871 Base-Backbone interact. energy: -0.000 local terms energy: -71.771537 where: bonds (distance) C4'-P energy: -15.609 bonds (distance) P-C4' energy: -11.283 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -20.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -218.583172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.583172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.583172 (E_RNA) where: Base-Base interactions energy: -148.727 where: short stacking energy: -70.592 Base-Backbone interact. energy: -1.830 local terms energy: -68.026280 where: bonds (distance) C4'-P energy: -13.232 bonds (distance) P-C4' energy: -13.799 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -10.645 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: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -217.208676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.208676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.208676 (E_RNA) where: Base-Base interactions energy: -152.155 where: short stacking energy: -66.631 Base-Backbone interact. energy: -0.021 local terms energy: -65.032041 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -7.547 flat angles C4'-P-C4' energy: -15.041 flat angles P-C4'-P energy: -10.484 tors. eta vs tors. theta energy: -19.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -205.803379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.803379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.803379 (E_RNA) where: Base-Base interactions energy: -147.649 where: short stacking energy: -61.767 Base-Backbone interact. energy: -0.259 local terms energy: -57.896092 where: bonds (distance) C4'-P energy: -11.456 bonds (distance) P-C4' energy: -12.298 flat angles C4'-P-C4' energy: -11.109 flat angles P-C4'-P energy: -7.695 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: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -201.848249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.848249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.848249 (E_RNA) where: Base-Base interactions energy: -138.747 where: short stacking energy: -57.910 Base-Backbone interact. energy: -0.016 local terms energy: -63.086009 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -13.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -206.733283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.733283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.733283 (E_RNA) where: Base-Base interactions energy: -140.978 where: short stacking energy: -62.048 Base-Backbone interact. energy: -0.193 local terms energy: -65.561934 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -8.725 tors. eta vs tors. theta energy: -15.995 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: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -192.728867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.728867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.728867 (E_RNA) where: Base-Base interactions energy: -134.269 where: short stacking energy: -51.659 Base-Backbone interact. energy: 0.665 local terms energy: -59.124163 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -9.449 tors. eta vs tors. theta energy: -11.163 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: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -191.733576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.733576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.733576 (E_RNA) where: Base-Base interactions energy: -135.229 where: short stacking energy: -55.220 Base-Backbone interact. energy: 1.276 local terms energy: -57.780871 where: bonds (distance) C4'-P energy: -10.504 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -13.248 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: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -81.422743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.422743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.422743 (E_RNA) where: Base-Base interactions energy: -38.771 where: short stacking energy: -22.667 Base-Backbone interact. energy: -0.030 local terms energy: -42.621258 where: bonds (distance) C4'-P energy: -15.596 bonds (distance) P-C4' energy: -12.078 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -80.142660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.142660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.142660 (E_RNA) where: Base-Base interactions energy: -30.180 where: short stacking energy: -30.180 Base-Backbone interact. energy: -0.122 local terms energy: -49.840645 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -8.527 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -219.928780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.928780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.928780 (E_RNA) where: Base-Base interactions energy: -153.283 where: short stacking energy: -67.643 Base-Backbone interact. energy: -1.770 local terms energy: -64.875934 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -11.879 flat angles P-C4'-P energy: -12.767 tors. eta vs tors. theta energy: -17.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -216.320745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.320745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.320745 (E_RNA) where: Base-Base interactions energy: -144.801 where: short stacking energy: -68.664 Base-Backbone interact. energy: -0.000 local terms energy: -71.519153 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -9.558 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: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -212.473138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.473138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.473138 (E_RNA) where: Base-Base interactions energy: -146.167 where: short stacking energy: -59.823 Base-Backbone interact. energy: -0.004 local terms energy: -66.302631 where: bonds (distance) C4'-P energy: -12.482 bonds (distance) P-C4' energy: -10.750 flat angles C4'-P-C4' energy: -14.814 flat angles P-C4'-P energy: -10.133 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: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -208.729032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.729032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.729032 (E_RNA) where: Base-Base interactions energy: -148.153 where: short stacking energy: -62.569 Base-Backbone interact. energy: -0.012 local terms energy: -60.564337 where: bonds (distance) C4'-P energy: -10.219 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -15.199 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -15.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -211.670995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.670995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.670995 (E_RNA) where: Base-Base interactions energy: -142.115 where: short stacking energy: -61.098 Base-Backbone interact. energy: -0.536 local terms energy: -69.019894 where: bonds (distance) C4'-P energy: -9.362 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -18.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -204.393848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.393848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.393848 (E_RNA) where: Base-Base interactions energy: -139.503 where: short stacking energy: -61.705 Base-Backbone interact. energy: -0.002 local terms energy: -64.888665 where: bonds (distance) C4'-P energy: -10.238 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -18.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -204.161321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.161321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.161321 (E_RNA) where: Base-Base interactions energy: -138.474 where: short stacking energy: -59.955 Base-Backbone interact. energy: -0.473 local terms energy: -65.213440 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -15.183 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -16.840 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: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -186.626260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.626260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.626260 (E_RNA) where: Base-Base interactions energy: -122.897 where: short stacking energy: -49.474 Base-Backbone interact. energy: -0.055 local terms energy: -63.674040 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -14.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -78.620351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.620351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.620351 (E_RNA) where: Base-Base interactions energy: -30.369 where: short stacking energy: -29.004 Base-Backbone interact. energy: 1.818 local terms energy: -50.069758 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -8.464 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: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -74.284351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.284351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.284351 (E_RNA) where: Base-Base interactions energy: -34.390 where: short stacking energy: -34.390 Base-Backbone interact. energy: 1.062 local terms energy: -40.956251 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.232 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -7.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -222.730476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.730476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.730476 (E_RNA) where: Base-Base interactions energy: -151.403 where: short stacking energy: -66.757 Base-Backbone interact. energy: -0.395 local terms energy: -70.932126 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -11.767 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: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -213.622064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.622064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.622064 (E_RNA) where: Base-Base interactions energy: -155.037 where: short stacking energy: -67.727 Base-Backbone interact. energy: -0.015 local terms energy: -58.570479 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -15.639 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -15.099 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: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -213.170418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.170418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.170418 (E_RNA) where: Base-Base interactions energy: -145.302 where: short stacking energy: -68.442 Base-Backbone interact. energy: -0.020 local terms energy: -67.848479 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -19.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -213.688530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.688530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.688530 (E_RNA) where: Base-Base interactions energy: -143.818 where: short stacking energy: -65.811 Base-Backbone interact. energy: -0.075 local terms energy: -69.795343 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -17.687 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: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -211.594675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.594675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.594675 (E_RNA) where: Base-Base interactions energy: -141.183 where: short stacking energy: -64.684 Base-Backbone interact. energy: -0.004 local terms energy: -70.407397 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -13.108 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -19.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -210.268104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.268104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.268104 (E_RNA) where: Base-Base interactions energy: -148.368 where: short stacking energy: -65.515 Base-Backbone interact. energy: -0.672 local terms energy: -61.227669 where: bonds (distance) C4'-P energy: -9.796 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -11.180 flat angles P-C4'-P energy: -6.351 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: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -197.402806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.402806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.402806 (E_RNA) where: Base-Base interactions energy: -136.614 where: short stacking energy: -57.146 Base-Backbone interact. energy: -0.030 local terms energy: -60.759559 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -9.688 flat angles C4'-P-C4' energy: -15.702 flat angles P-C4'-P energy: -7.166 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: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -198.362456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.362456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.362456 (E_RNA) where: Base-Base interactions energy: -136.989 where: short stacking energy: -57.094 Base-Backbone interact. energy: -0.027 local terms energy: -61.346486 where: bonds (distance) C4'-P energy: -9.373 bonds (distance) P-C4' energy: -16.855 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -14.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -81.958474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.958474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.958474 (E_RNA) where: Base-Base interactions energy: -31.446 where: short stacking energy: -31.446 Base-Backbone interact. energy: -0.083 local terms energy: -50.429428 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -8.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -67.488695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.488695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.488695 (E_RNA) where: Base-Base interactions energy: -21.648 where: short stacking energy: -14.853 Base-Backbone interact. energy: -0.662 local terms energy: -45.178724 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -222.449256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.449256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.449256 (E_RNA) where: Base-Base interactions energy: -147.695 where: short stacking energy: -67.790 Base-Backbone interact. energy: -0.020 local terms energy: -74.734931 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -12.112 tors. eta vs tors. theta energy: -17.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -219.067140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.067140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.067140 (E_RNA) where: Base-Base interactions energy: -147.619 where: short stacking energy: -71.117 Base-Backbone interact. energy: -0.430 local terms energy: -71.017954 where: bonds (distance) C4'-P energy: -11.335 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -16.167 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -20.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -209.680871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.680871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.680871 (E_RNA) where: Base-Base interactions energy: -139.221 where: short stacking energy: -57.206 Base-Backbone interact. energy: -0.184 local terms energy: -70.275589 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -11.030 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -11.126 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: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -211.860887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.860887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.860887 (E_RNA) where: Base-Base interactions energy: -144.042 where: short stacking energy: -60.981 Base-Backbone interact. energy: -0.002 local terms energy: -67.817100 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -11.403 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -9.222 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: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -218.792971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.792971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.792971 (E_RNA) where: Base-Base interactions energy: -145.874 where: short stacking energy: -62.041 Base-Backbone interact. energy: -0.372 local terms energy: -72.547063 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -17.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -209.661373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.661373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.661373 (E_RNA) where: Base-Base interactions energy: -140.776 where: short stacking energy: -57.904 Base-Backbone interact. energy: -0.287 local terms energy: -68.597966 where: bonds (distance) C4'-P energy: -15.197 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -5.239 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: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -212.551753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.551753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.551753 (E_RNA) where: Base-Base interactions energy: -139.083 where: short stacking energy: -65.059 Base-Backbone interact. energy: -0.614 local terms energy: -72.855518 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -15.286 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -20.248 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: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -188.789596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.789596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.789596 (E_RNA) where: Base-Base interactions energy: -131.120 where: short stacking energy: -52.166 Base-Backbone interact. energy: -0.213 local terms energy: -57.456902 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -12.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -76.849574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.849574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.849574 (E_RNA) where: Base-Base interactions energy: -36.226 where: short stacking energy: -23.574 Base-Backbone interact. energy: -0.309 local terms energy: -40.314108 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -8.454 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: 2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -77.619328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.619328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.619328 (E_RNA) where: Base-Base interactions energy: -27.897 where: short stacking energy: -27.897 Base-Backbone interact. energy: -0.036 local terms energy: -49.686651 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -6.280 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: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -222.262945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.262945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.262945 (E_RNA) where: Base-Base interactions energy: -156.529 where: short stacking energy: -66.910 Base-Backbone interact. energy: -0.207 local terms energy: -65.527197 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -14.093 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -10.563 tors. eta vs tors. theta energy: -20.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -216.847387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.847387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.847387 (E_RNA) where: Base-Base interactions energy: -154.848 where: short stacking energy: -67.026 Base-Backbone interact. energy: -0.012 local terms energy: -61.987381 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -9.716 flat angles C4'-P-C4' energy: -12.360 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -19.661 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: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -218.009400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.009400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.009400 (E_RNA) where: Base-Base interactions energy: -142.636 where: short stacking energy: -61.818 Base-Backbone interact. energy: -1.692 local terms energy: -73.681629 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -11.657 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: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -209.968863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.968863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.968863 (E_RNA) where: Base-Base interactions energy: -145.203 where: short stacking energy: -64.262 Base-Backbone interact. energy: -1.908 local terms energy: -62.857831 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -6.235 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: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -217.521816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.521816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.521816 (E_RNA) where: Base-Base interactions energy: -145.948 where: short stacking energy: -69.494 Base-Backbone interact. energy: -0.151 local terms energy: -71.422679 where: bonds (distance) C4'-P energy: -9.750 bonds (distance) P-C4' energy: -14.855 flat angles C4'-P-C4' energy: -14.990 flat angles P-C4'-P energy: -13.571 tors. eta vs tors. theta energy: -18.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -193.527177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.527177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.527177 (E_RNA) where: Base-Base interactions energy: -133.880 where: short stacking energy: -58.360 Base-Backbone interact. energy: -0.179 local terms energy: -59.468047 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -11.433 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -12.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -193.576442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.576442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.576442 (E_RNA) where: Base-Base interactions energy: -131.019 where: short stacking energy: -53.655 Base-Backbone interact. energy: -0.041 local terms energy: -62.516622 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -17.612 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: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -197.364689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.364689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.364689 (E_RNA) where: Base-Base interactions energy: -135.010 where: short stacking energy: -53.267 Base-Backbone interact. energy: -0.223 local terms energy: -62.131415 where: bonds (distance) C4'-P energy: -11.613 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -12.929 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -13.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -91.780415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.780415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.780415 (E_RNA) where: Base-Base interactions energy: -49.404 where: short stacking energy: -44.170 Base-Backbone interact. energy: -0.003 local terms energy: -42.373006 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -8.065 flat angles C4'-P-C4' energy: -14.964 flat angles P-C4'-P energy: -0.206 tors. eta vs tors. theta energy: -10.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -68.243792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.243792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.243792 (E_RNA) where: Base-Base interactions energy: -26.554 where: short stacking energy: -17.811 Base-Backbone interact. energy: 0.814 local terms energy: -42.502977 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -8.494 flat angles P-C4'-P energy: -7.329 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: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -226.119496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.119496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.119496 (E_RNA) where: Base-Base interactions energy: -150.046 where: short stacking energy: -66.764 Base-Backbone interact. energy: -1.973 local terms energy: -74.100703 where: bonds (distance) C4'-P energy: -13.861 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -11.723 tors. eta vs tors. theta energy: -20.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -216.312690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.312690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.312690 (E_RNA) where: Base-Base interactions energy: -144.106 where: short stacking energy: -62.515 Base-Backbone interact. energy: -0.003 local terms energy: -72.202940 where: bonds (distance) C4'-P energy: -15.935 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -14.110 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -19.155 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: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -220.611210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.611210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.611210 (E_RNA) where: Base-Base interactions energy: -146.836 where: short stacking energy: -60.887 Base-Backbone interact. energy: -0.096 local terms energy: -73.679726 where: bonds (distance) C4'-P energy: -15.375 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -11.013 tors. eta vs tors. theta energy: -19.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -205.168000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.168000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.168000 (E_RNA) where: Base-Base interactions energy: -139.264 where: short stacking energy: -58.886 Base-Backbone interact. energy: 0.608 local terms energy: -66.512395 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -9.249 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: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -199.677548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.677548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.677548 (E_RNA) where: Base-Base interactions energy: -136.131 where: short stacking energy: -59.508 Base-Backbone interact. energy: -0.129 local terms energy: -63.417331 where: bonds (distance) C4'-P energy: -11.665 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -14.130 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -17.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -199.742812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.742812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.742812 (E_RNA) where: Base-Base interactions energy: -137.479 where: short stacking energy: -51.351 Base-Backbone interact. energy: -0.437 local terms energy: -61.827187 where: bonds (distance) C4'-P energy: -10.395 bonds (distance) P-C4' energy: -12.186 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -11.259 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: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -207.329688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.329688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.329688 (E_RNA) where: Base-Base interactions energy: -146.359 where: short stacking energy: -61.776 Base-Backbone interact. energy: -0.135 local terms energy: -60.835367 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -11.085 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -9.284 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: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -209.185831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.185831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.185831 (E_RNA) where: Base-Base interactions energy: -147.437 where: short stacking energy: -63.974 Base-Backbone interact. energy: -0.018 local terms energy: -61.730699 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -9.421 flat angles P-C4'-P energy: -10.779 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: 9, replica: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -81.660451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.660451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.660451 (E_RNA) where: Base-Base interactions energy: -35.219 where: short stacking energy: -29.744 Base-Backbone interact. energy: -0.103 local terms energy: -46.337818 where: bonds (distance) C4'-P energy: -9.139 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -8.606 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -66.557511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.557511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.557511 (E_RNA) where: Base-Base interactions energy: -30.730 where: short stacking energy: -19.665 Base-Backbone interact. energy: -0.120 local terms energy: -35.707129 where: bonds (distance) C4'-P energy: -8.584 bonds (distance) P-C4' energy: -8.635 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -227.072017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.072017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.072017 (E_RNA) where: Base-Base interactions energy: -152.388 where: short stacking energy: -64.487 Base-Backbone interact. energy: -2.672 local terms energy: -72.012229 where: bonds (distance) C4'-P energy: -16.576 bonds (distance) P-C4' energy: -14.537 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -9.988 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: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -220.111843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.111843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.111843 (E_RNA) where: Base-Base interactions energy: -147.307 where: short stacking energy: -63.563 Base-Backbone interact. energy: -0.012 local terms energy: -72.793605 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -9.653 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: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -217.729109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.729109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.729109 (E_RNA) where: Base-Base interactions energy: -152.401 where: short stacking energy: -67.465 Base-Backbone interact. energy: -0.487 local terms energy: -64.841503 where: bonds (distance) C4'-P energy: -10.877 bonds (distance) P-C4' energy: -10.739 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -17.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -215.617790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.617790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.617790 (E_RNA) where: Base-Base interactions energy: -145.532 where: short stacking energy: -59.130 Base-Backbone interact. energy: 0.921 local terms energy: -71.006567 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -16.773 flat angles P-C4'-P energy: -11.904 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: 5, replica: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -207.461640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.461640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.461640 (E_RNA) where: Base-Base interactions energy: -142.138 where: short stacking energy: -60.646 Base-Backbone interact. energy: -0.021 local terms energy: -65.303015 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -16.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -203.829837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.829837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.829837 (E_RNA) where: Base-Base interactions energy: -129.576 where: short stacking energy: -50.070 Base-Backbone interact. energy: -0.104 local terms energy: -74.149293 where: bonds (distance) C4'-P energy: -15.389 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -16.115 flat angles P-C4'-P energy: -11.618 tors. eta vs tors. theta energy: -16.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -196.821615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.821615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.821615 (E_RNA) where: Base-Base interactions energy: -130.418 where: short stacking energy: -53.773 Base-Backbone interact. energy: -0.139 local terms energy: -66.264720 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -15.169 flat angles C4'-P-C4' energy: -13.943 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -13.359 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: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -187.189883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.189883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.189883 (E_RNA) where: Base-Base interactions energy: -131.230 where: short stacking energy: -57.480 Base-Backbone interact. energy: -1.009 local terms energy: -54.950917 where: bonds (distance) C4'-P energy: -10.346 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -17.765 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: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -83.061018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.061018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.061018 (E_RNA) where: Base-Base interactions energy: -33.083 where: short stacking energy: -33.283 Base-Backbone interact. energy: -0.033 local terms energy: -49.944538 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -5.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -69.038442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.038442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.038442 (E_RNA) where: Base-Base interactions energy: -24.028 where: short stacking energy: -24.128 Base-Backbone interact. energy: -0.178 local terms energy: -44.832519 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -8.251 tors. eta vs tors. theta energy: 2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -220.618344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.618344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.618344 (E_RNA) where: Base-Base interactions energy: -149.160 where: short stacking energy: -65.268 Base-Backbone interact. energy: -0.122 local terms energy: -71.335773 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -14.887 flat angles P-C4'-P energy: -12.743 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: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -218.147299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.147299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.147299 (E_RNA) where: Base-Base interactions energy: -150.612 where: short stacking energy: -68.282 Base-Backbone interact. energy: -0.030 local terms energy: -67.505359 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -10.518 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -18.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -209.716814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.716814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.716814 (E_RNA) where: Base-Base interactions energy: -137.963 where: short stacking energy: -57.625 Base-Backbone interact. energy: -0.421 local terms energy: -71.332545 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -12.388 tors. eta vs tors. theta energy: -14.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -210.004697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.004697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.004697 (E_RNA) where: Base-Base interactions energy: -145.529 where: short stacking energy: -60.900 Base-Backbone interact. energy: 0.260 local terms energy: -64.735754 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -10.272 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -11.175 tors. eta vs tors. theta energy: -15.934 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: 5, replica: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -205.255507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.255507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.255507 (E_RNA) where: Base-Base interactions energy: -144.924 where: short stacking energy: -63.175 Base-Backbone interact. energy: -0.093 local terms energy: -60.237900 where: bonds (distance) C4'-P energy: -5.807 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -9.618 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: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -203.959525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.959525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.959525 (E_RNA) where: Base-Base interactions energy: -138.519 where: short stacking energy: -57.883 Base-Backbone interact. energy: -0.071 local terms energy: -65.370294 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -14.146 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: 10 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -203.886684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.886684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.886684 (E_RNA) where: Base-Base interactions energy: -141.145 where: short stacking energy: -61.708 Base-Backbone interact. energy: -0.073 local terms energy: -62.667734 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -11.752 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -5.929 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: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -198.753149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.753149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.753149 (E_RNA) where: Base-Base interactions energy: -136.882 where: short stacking energy: -56.407 Base-Backbone interact. energy: -0.228 local terms energy: -61.642926 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -16.383 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: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -84.612422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.612422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.612422 (E_RNA) where: Base-Base interactions energy: -31.197 where: short stacking energy: -28.253 Base-Backbone interact. energy: -0.050 local terms energy: -53.366080 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -11.386 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -75.003795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.003795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.003795 (E_RNA) where: Base-Base interactions energy: -35.500 where: short stacking energy: -24.062 Base-Backbone interact. energy: -0.116 local terms energy: -39.387451 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -12.952 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -5.807 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: 1, replica: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -223.340960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.340960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.340960 (E_RNA) where: Base-Base interactions energy: -150.451 where: short stacking energy: -66.612 Base-Backbone interact. energy: -0.076 local terms energy: -72.814128 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -15.579 flat angles P-C4'-P energy: -11.954 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: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -220.507343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.507343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.507343 (E_RNA) where: Base-Base interactions energy: -151.038 where: short stacking energy: -66.490 Base-Backbone interact. energy: -0.468 local terms energy: -69.000530 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -11.997 tors. eta vs tors. theta energy: -18.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -211.490733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.490733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.490733 (E_RNA) where: Base-Base interactions energy: -143.035 where: short stacking energy: -61.947 Base-Backbone interact. energy: -0.648 local terms energy: -67.807667 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -15.835 flat angles P-C4'-P energy: -7.111 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: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -206.931291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.931291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.931291 (E_RNA) where: Base-Base interactions energy: -137.924 where: short stacking energy: -58.480 Base-Backbone interact. energy: -0.054 local terms energy: -68.953344 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -17.144 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: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -208.828199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.828199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.828199 (E_RNA) where: Base-Base interactions energy: -139.537 where: short stacking energy: -58.605 Base-Backbone interact. energy: -0.229 local terms energy: -69.062660 where: bonds (distance) C4'-P energy: -12.155 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -9.839 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: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -203.997104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.997104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.997104 (E_RNA) where: Base-Base interactions energy: -141.494 where: short stacking energy: -55.706 Base-Backbone interact. energy: -0.089 local terms energy: -62.414129 where: bonds (distance) C4'-P energy: -12.268 bonds (distance) P-C4' energy: -13.927 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -178.346595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.346595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.346595 (E_RNA) where: Base-Base interactions energy: -126.440 where: short stacking energy: -50.724 Base-Backbone interact. energy: -0.354 local terms energy: -51.553124 where: bonds (distance) C4'-P energy: -7.564 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -9.750 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -14.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -191.861722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.861722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.861722 (E_RNA) where: Base-Base interactions energy: -131.218 where: short stacking energy: -54.824 Base-Backbone interact. energy: -0.021 local terms energy: -60.623466 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -13.231 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -17.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -70.126366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.126366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.126366 (E_RNA) where: Base-Base interactions energy: -26.595 where: short stacking energy: -24.132 Base-Backbone interact. energy: -0.078 local terms energy: -43.452920 where: bonds (distance) C4'-P energy: -8.757 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -69.782297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.782297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.782297 (E_RNA) where: Base-Base interactions energy: -29.020 where: short stacking energy: -29.020 Base-Backbone interact. energy: -0.041 local terms energy: -40.720381 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -220.839736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.839736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.839736 (E_RNA) where: Base-Base interactions energy: -147.632 where: short stacking energy: -65.053 Base-Backbone interact. energy: -0.059 local terms energy: -73.149247 where: bonds (distance) C4'-P energy: -15.803 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -7.234 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: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -220.671268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.671268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.671268 (E_RNA) where: Base-Base interactions energy: -148.890 where: short stacking energy: -66.573 Base-Backbone interact. energy: -0.923 local terms energy: -70.858210 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -15.482 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -17.897 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: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -223.382194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.382194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.382194 (E_RNA) where: Base-Base interactions energy: -152.020 where: short stacking energy: -67.731 Base-Backbone interact. energy: -0.007 local terms energy: -71.354616 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -12.251 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -12.910 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: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -210.173493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.173493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.173493 (E_RNA) where: Base-Base interactions energy: -146.760 where: short stacking energy: -65.348 Base-Backbone interact. energy: -0.014 local terms energy: -63.399739 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -8.266 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: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -203.660986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.660986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.660986 (E_RNA) where: Base-Base interactions energy: -141.638 where: short stacking energy: -60.079 Base-Backbone interact. energy: -1.212 local terms energy: -60.810419 where: bonds (distance) C4'-P energy: -8.160 bonds (distance) P-C4' energy: -11.350 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -16.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -193.683645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.683645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.683645 (E_RNA) where: Base-Base interactions energy: -134.523 where: short stacking energy: -49.004 Base-Backbone interact. energy: -0.467 local terms energy: -58.693617 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -15.976 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -195.176162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.176162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.176162 (E_RNA) where: Base-Base interactions energy: -133.113 where: short stacking energy: -56.014 Base-Backbone interact. energy: -0.165 local terms energy: -61.898423 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -10.748 tors. eta vs tors. theta energy: -14.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -159.658578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.658578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.658578 (E_RNA) where: Base-Base interactions energy: -108.838 where: short stacking energy: -52.985 Base-Backbone interact. energy: -0.161 local terms energy: -50.659605 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -10.168 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -15.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -81.065045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.065045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.065045 (E_RNA) where: Base-Base interactions energy: -30.576 where: short stacking energy: -29.165 Base-Backbone interact. energy: -0.189 local terms energy: -50.300300 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -15.450 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: 0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -72.324049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.324049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.324049 (E_RNA) where: Base-Base interactions energy: -24.417 where: short stacking energy: -16.573 Base-Backbone interact. energy: -0.281 local terms energy: -47.626412 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -10.218 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -223.174295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.174295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.174295 (E_RNA) where: Base-Base interactions energy: -146.025 where: short stacking energy: -70.803 Base-Backbone interact. energy: -0.013 local terms energy: -77.136971 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -12.427 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: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -216.148546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.148546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.148546 (E_RNA) where: Base-Base interactions energy: -148.064 where: short stacking energy: -67.949 Base-Backbone interact. energy: -0.003 local terms energy: -68.082006 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -14.611 flat angles P-C4'-P energy: -10.220 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: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -217.732051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.732051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.732051 (E_RNA) where: Base-Base interactions energy: -145.689 where: short stacking energy: -68.193 Base-Backbone interact. energy: -0.001 local terms energy: -72.042011 where: bonds (distance) C4'-P energy: -15.642 bonds (distance) P-C4' energy: -11.569 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -21.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -210.380031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.380031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.380031 (E_RNA) where: Base-Base interactions energy: -140.896 where: short stacking energy: -61.103 Base-Backbone interact. energy: -0.012 local terms energy: -69.472318 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -11.767 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -10.772 tors. eta vs tors. theta energy: -17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -203.892550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.892550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.892550 (E_RNA) where: Base-Base interactions energy: -134.449 where: short stacking energy: -55.353 Base-Backbone interact. energy: -0.166 local terms energy: -69.278254 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -13.120 flat angles P-C4'-P energy: -13.871 tors. eta vs tors. theta energy: -15.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -200.218830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.218830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.218830 (E_RNA) where: Base-Base interactions energy: -138.433 where: short stacking energy: -59.257 Base-Backbone interact. energy: -0.892 local terms energy: -60.893122 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -7.508 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: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -186.397764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.397764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.397764 (E_RNA) where: Base-Base interactions energy: -129.904 where: short stacking energy: -49.711 Base-Backbone interact. energy: -0.181 local terms energy: -56.312858 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -11.702 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -8.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -152.667369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.667369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.667369 (E_RNA) where: Base-Base interactions energy: -104.424 where: short stacking energy: -44.783 Base-Backbone interact. energy: -0.650 local terms energy: -47.593304 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -9.449 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -81.554686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.554686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.554686 (E_RNA) where: Base-Base interactions energy: -34.518 where: short stacking energy: -34.518 Base-Backbone interact. energy: 0.537 local terms energy: -47.574300 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -10.997 flat angles C4'-P-C4' energy: -8.841 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -70.877360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.877360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.877360 (E_RNA) where: Base-Base interactions energy: -27.857 where: short stacking energy: -27.857 Base-Backbone interact. energy: -0.079 local terms energy: -42.942145 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -14.975 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -223.981144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.981144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.981144 (E_RNA) where: Base-Base interactions energy: -147.929 where: short stacking energy: -64.817 Base-Backbone interact. energy: -0.048 local terms energy: -76.003770 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -16.330 flat angles P-C4'-P energy: -11.322 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: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -216.228240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.228240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.228240 (E_RNA) where: Base-Base interactions energy: -146.937 where: short stacking energy: -59.429 Base-Backbone interact. energy: -0.004 local terms energy: -69.287299 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -8.580 tors. eta vs tors. theta energy: -21.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -213.675402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.675402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.675402 (E_RNA) where: Base-Base interactions energy: -142.113 where: short stacking energy: -59.177 Base-Backbone interact. energy: -0.144 local terms energy: -71.417708 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -15.593 flat angles P-C4'-P energy: -10.855 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: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -212.515394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.515394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.515394 (E_RNA) where: Base-Base interactions energy: -145.210 where: short stacking energy: -61.169 Base-Backbone interact. energy: 0.983 local terms energy: -68.288465 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -18.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -208.271151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.271151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.271151 (E_RNA) where: Base-Base interactions energy: -143.298 where: short stacking energy: -61.211 Base-Backbone interact. energy: -0.031 local terms energy: -64.941570 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -7.949 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: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -206.298998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.298998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.298998 (E_RNA) where: Base-Base interactions energy: -142.004 where: short stacking energy: -60.325 Base-Backbone interact. energy: 1.411 local terms energy: -65.706486 where: bonds (distance) C4'-P energy: -10.747 bonds (distance) P-C4' energy: -13.178 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -11.873 tors. eta vs tors. theta energy: -15.050 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: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -194.773446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.773446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.773446 (E_RNA) where: Base-Base interactions energy: -143.142 where: short stacking energy: -62.119 Base-Backbone interact. energy: -0.318 local terms energy: -51.313332 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -13.564 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -12.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -191.318332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.318332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.318332 (E_RNA) where: Base-Base interactions energy: -127.335 where: short stacking energy: -51.038 Base-Backbone interact. energy: -0.086 local terms energy: -63.897362 where: bonds (distance) C4'-P energy: -9.602 bonds (distance) P-C4' energy: -13.627 flat angles C4'-P-C4' energy: -15.502 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -14.320 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: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -96.349293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.349293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.349293 (E_RNA) where: Base-Base interactions energy: -47.891 where: short stacking energy: -25.308 Base-Backbone interact. energy: -0.150 local terms energy: -48.308226 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -72.883183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.883183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.883183 (E_RNA) where: Base-Base interactions energy: -23.946 where: short stacking energy: -23.946 Base-Backbone interact. energy: 0.289 local terms energy: -49.225969 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -220.838147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.838147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.838147 (E_RNA) where: Base-Base interactions energy: -154.569 where: short stacking energy: -67.926 Base-Backbone interact. energy: -0.290 local terms energy: -65.978520 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -12.052 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -17.555 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: 4 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -220.536475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.536475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.536475 (E_RNA) where: Base-Base interactions energy: -151.881 where: short stacking energy: -69.822 Base-Backbone interact. energy: -0.013 local terms energy: -68.642976 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -20.409 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: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -218.953087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.953087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.953087 (E_RNA) where: Base-Base interactions energy: -146.050 where: short stacking energy: -61.299 Base-Backbone interact. energy: -0.723 local terms energy: -72.179414 where: bonds (distance) C4'-P energy: -12.856 bonds (distance) P-C4' energy: -14.193 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -8.555 tors. eta vs tors. theta energy: -20.570 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: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -208.677995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.677995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.677995 (E_RNA) where: Base-Base interactions energy: -144.870 where: short stacking energy: -57.529 Base-Backbone interact. energy: -0.081 local terms energy: -63.727518 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -14.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -205.220714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.220714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.220714 (E_RNA) where: Base-Base interactions energy: -139.535 where: short stacking energy: -60.580 Base-Backbone interact. energy: -0.015 local terms energy: -65.670651 where: bonds (distance) C4'-P energy: -10.599 bonds (distance) P-C4' energy: -16.449 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -11.693 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: 6, replica: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -200.150976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.150976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.150976 (E_RNA) where: Base-Base interactions energy: -134.198 where: short stacking energy: -56.510 Base-Backbone interact. energy: -0.076 local terms energy: -65.876814 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -9.144 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: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -198.655848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.655848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.655848 (E_RNA) where: Base-Base interactions energy: -133.831 where: short stacking energy: -59.107 Base-Backbone interact. energy: 0.992 local terms energy: -65.817433 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -12.658 flat angles P-C4'-P energy: -11.878 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: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -202.455763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.455763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.455763 (E_RNA) where: Base-Base interactions energy: -136.905 where: short stacking energy: -58.720 Base-Backbone interact. energy: -0.024 local terms energy: -65.526153 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -12.045 tors. eta vs tors. theta energy: -13.595 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: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -99.443558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.443558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.443558 (E_RNA) where: Base-Base interactions energy: -47.499 where: short stacking energy: -41.623 Base-Backbone interact. energy: -0.567 local terms energy: -51.377537 where: bonds (distance) C4'-P energy: -7.262 bonds (distance) P-C4' energy: -10.768 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -12.380 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: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -79.179589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.179589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.179589 (E_RNA) where: Base-Base interactions energy: -33.541 where: short stacking energy: -33.541 Base-Backbone interact. energy: -0.068 local terms energy: -45.570904 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -224.042586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.042586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.042586 (E_RNA) where: Base-Base interactions energy: -149.462 where: short stacking energy: -67.789 Base-Backbone interact. energy: -0.247 local terms energy: -74.333307 where: bonds (distance) C4'-P energy: -14.490 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -15.594 flat angles P-C4'-P energy: -11.668 tors. eta vs tors. theta energy: -18.320 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: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -219.409816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.409816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.409816 (E_RNA) where: Base-Base interactions energy: -151.763 where: short stacking energy: -67.930 Base-Backbone interact. energy: 0.026 local terms energy: -67.672094 where: bonds (distance) C4'-P energy: -14.816 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -10.688 flat angles P-C4'-P energy: -9.699 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: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -221.247067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.247067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.247067 (E_RNA) where: Base-Base interactions energy: -145.210 where: short stacking energy: -61.740 Base-Backbone interact. energy: -1.369 local terms energy: -74.667617 where: bonds (distance) C4'-P energy: -14.976 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -11.551 tors. eta vs tors. theta energy: -18.268 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: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -211.555326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.555326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.555326 (E_RNA) where: Base-Base interactions energy: -145.115 where: short stacking energy: -60.337 Base-Backbone interact. energy: -0.003 local terms energy: -66.437510 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -9.974 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -10.512 tors. eta vs tors. theta energy: -16.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -209.977510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.977510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.977510 (E_RNA) where: Base-Base interactions energy: -140.769 where: short stacking energy: -64.171 Base-Backbone interact. energy: -1.538 local terms energy: -67.671034 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -7.861 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: 6, replica: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -208.135742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.135742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.135742 (E_RNA) where: Base-Base interactions energy: -147.600 where: short stacking energy: -64.369 Base-Backbone interact. energy: -0.020 local terms energy: -60.515260 where: bonds (distance) C4'-P energy: -7.477 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -9.332 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: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -200.328627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.328627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.328627 (E_RNA) where: Base-Base interactions energy: -136.912 where: short stacking energy: -59.884 Base-Backbone interact. energy: -0.004 local terms energy: -63.412657 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -16.102 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: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -191.374421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.374421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.374421 (E_RNA) where: Base-Base interactions energy: -141.798 where: short stacking energy: -59.887 Base-Backbone interact. energy: 0.500 local terms energy: -50.076911 where: bonds (distance) C4'-P energy: -9.112 bonds (distance) P-C4' energy: -9.974 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -6.106 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: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -87.436905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.436905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.436905 (E_RNA) where: Base-Base interactions energy: -36.465 where: short stacking energy: -36.465 Base-Backbone interact. energy: -0.099 local terms energy: -50.872977 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -10.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -67.900443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.900443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.900443 (E_RNA) where: Base-Base interactions energy: -21.505 where: short stacking energy: -17.681 Base-Backbone interact. energy: -0.034 local terms energy: -46.361090 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -232.949963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.949963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.949963 (E_RNA) where: Base-Base interactions energy: -153.943 where: short stacking energy: -68.172 Base-Backbone interact. energy: -0.789 local terms energy: -78.217552 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -11.804 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: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -223.129041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.129041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.129041 (E_RNA) where: Base-Base interactions energy: -151.556 where: short stacking energy: -66.526 Base-Backbone interact. energy: -0.001 local terms energy: -71.572088 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -12.829 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -12.129 tors. eta vs tors. theta energy: -19.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -220.648075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.648075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.648075 (E_RNA) where: Base-Base interactions energy: -148.081 where: short stacking energy: -64.351 Base-Backbone interact. energy: -0.599 local terms energy: -71.967659 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -12.577 flat angles P-C4'-P energy: -14.216 tors. eta vs tors. theta energy: -18.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -205.893707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.893707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.893707 (E_RNA) where: Base-Base interactions energy: -140.685 where: short stacking energy: -61.662 Base-Backbone interact. energy: -0.019 local terms energy: -65.188904 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -8.571 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: 3 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -203.100275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.100275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.100275 (E_RNA) where: Base-Base interactions energy: -142.841 where: short stacking energy: -57.859 Base-Backbone interact. energy: -0.118 local terms energy: -60.141399 where: bonds (distance) C4'-P energy: -9.482 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -17.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -207.096686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.096686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.096686 (E_RNA) where: Base-Base interactions energy: -146.691 where: short stacking energy: -66.336 Base-Backbone interact. energy: -0.001 local terms energy: -60.405178 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -8.720 flat angles C4'-P-C4' energy: -11.775 flat angles P-C4'-P energy: -10.600 tors. eta vs tors. theta energy: -17.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -199.006848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.006848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.006848 (E_RNA) where: Base-Base interactions energy: -132.691 where: short stacking energy: -56.937 Base-Backbone interact. energy: -0.000 local terms energy: -66.316235 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: -21.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -205.373203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.373203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.373203 (E_RNA) where: Base-Base interactions energy: -137.046 where: short stacking energy: -59.372 Base-Backbone interact. energy: -0.339 local terms energy: -67.988643 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -20.029 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: 315 Temperature: 1.300000 Total energy: -76.748336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.748336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.748336 (E_RNA) where: Base-Base interactions energy: -37.516 where: short stacking energy: -27.863 Base-Backbone interact. energy: 2.041 local terms energy: -41.274180 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -4.325 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: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -96.229650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.229650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.229650 (E_RNA) where: Base-Base interactions energy: -49.059 where: short stacking energy: -23.521 Base-Backbone interact. energy: -1.215 local terms energy: -45.955265 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -223.417276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.417276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.417276 (E_RNA) where: Base-Base interactions energy: -153.772 where: short stacking energy: -71.440 Base-Backbone interact. energy: -0.011 local terms energy: -69.634296 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -8.152 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -11.993 tors. eta vs tors. theta energy: -20.437 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: 316 Temperature: 0.950000 Total energy: -217.997846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.997846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.997846 (E_RNA) where: Base-Base interactions energy: -145.186 where: short stacking energy: -68.838 Base-Backbone interact. energy: -0.001 local terms energy: -72.810512 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -16.603 flat angles P-C4'-P energy: -9.591 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: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -219.923260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.923260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.923260 (E_RNA) where: Base-Base interactions energy: -151.269 where: short stacking energy: -67.675 Base-Backbone interact. energy: -0.000 local terms energy: -68.653880 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -14.793 flat angles P-C4'-P energy: -9.440 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: 4, replica: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -211.641103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.641103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.641103 (E_RNA) where: Base-Base interactions energy: -143.721 where: short stacking energy: -61.531 Base-Backbone interact. energy: -0.005 local terms energy: -67.915177 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -14.780 flat angles C4'-P-C4' energy: -14.848 flat angles P-C4'-P energy: -9.768 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: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -206.037672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.037672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.037672 (E_RNA) where: Base-Base interactions energy: -136.314 where: short stacking energy: -58.752 Base-Backbone interact. energy: -0.580 local terms energy: -69.143206 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -15.988 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -13.628 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: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -212.448481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.448481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.448481 (E_RNA) where: Base-Base interactions energy: -141.646 where: short stacking energy: -61.747 Base-Backbone interact. energy: -0.108 local terms energy: -70.694594 where: bonds (distance) C4'-P energy: -12.879 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -11.543 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: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -205.084470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.084470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.084470 (E_RNA) where: Base-Base interactions energy: -138.572 where: short stacking energy: -60.729 Base-Backbone interact. energy: -1.246 local terms energy: -65.266260 where: bonds (distance) C4'-P energy: -9.848 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -9.104 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: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -193.446145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.446145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.446145 (E_RNA) where: Base-Base interactions energy: -133.666 where: short stacking energy: -58.346 Base-Backbone interact. energy: -0.030 local terms energy: -59.749996 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -16.524 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: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -78.520039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.520039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.520039 (E_RNA) where: Base-Base interactions energy: -35.520 where: short stacking energy: -22.088 Base-Backbone interact. energy: 1.451 local terms energy: -44.451057 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -9.319 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -75.520462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.520462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.520462 (E_RNA) where: Base-Base interactions energy: -28.043 where: short stacking energy: -28.043 Base-Backbone interact. energy: -0.165 local terms energy: -47.312596 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -232.713777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.713777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.713777 (E_RNA) where: Base-Base interactions energy: -155.529 where: short stacking energy: -68.665 Base-Backbone interact. energy: -0.214 local terms energy: -76.971342 where: bonds (distance) C4'-P energy: -14.909 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -13.080 tors. eta vs tors. theta energy: -21.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -222.196750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.196750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.196750 (E_RNA) where: Base-Base interactions energy: -150.189 where: short stacking energy: -66.590 Base-Backbone interact. energy: -0.045 local terms energy: -71.962556 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -17.330 flat angles P-C4'-P energy: -8.961 tors. eta vs tors. theta energy: -16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -223.861591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.861591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.861591 (E_RNA) where: Base-Base interactions energy: -148.419 where: short stacking energy: -67.971 Base-Backbone interact. energy: -0.041 local terms energy: -75.401102 where: bonds (distance) C4'-P energy: -14.436 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -14.873 flat angles P-C4'-P energy: -9.835 tors. eta vs tors. theta energy: -18.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -212.651232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.651232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.651232 (E_RNA) where: Base-Base interactions energy: -148.325 where: short stacking energy: -56.120 Base-Backbone interact. energy: -0.073 local terms energy: -64.253879 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -8.947 tors. eta vs tors. theta energy: -16.012 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: 317 Temperature: 1.100000 Total energy: -212.459213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.459213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.459213 (E_RNA) where: Base-Base interactions energy: -144.137 where: short stacking energy: -64.433 Base-Backbone interact. energy: -0.166 local terms energy: -68.157112 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -19.128 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: 317 Temperature: 1.150000 Total energy: -208.260667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.260667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.260667 (E_RNA) where: Base-Base interactions energy: -142.916 where: short stacking energy: -62.392 Base-Backbone interact. energy: -0.577 local terms energy: -64.767156 where: bonds (distance) C4'-P energy: -9.564 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -9.709 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: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -193.197073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.197073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.197073 (E_RNA) where: Base-Base interactions energy: -131.869 where: short stacking energy: -52.602 Base-Backbone interact. energy: -0.475 local terms energy: -60.852672 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -9.351 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: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -158.903737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.903737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.903737 (E_RNA) where: Base-Base interactions energy: -103.522 where: short stacking energy: -50.077 Base-Backbone interact. energy: -0.002 local terms energy: -55.379914 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -16.166 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -11.510 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: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -72.843970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.843970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.843970 (E_RNA) where: Base-Base interactions energy: -28.516 where: short stacking energy: -21.554 Base-Backbone interact. energy: -0.366 local terms energy: -43.961988 where: bonds (distance) C4'-P energy: -11.291 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -10.496 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -75.199598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.199598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.199598 (E_RNA) where: Base-Base interactions energy: -37.194 where: short stacking energy: -19.050 Base-Backbone interact. energy: -0.212 local terms energy: -37.793179 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -10.449 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: 2.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -221.396220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.396220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.396220 (E_RNA) where: Base-Base interactions energy: -151.677 where: short stacking energy: -68.388 Base-Backbone interact. energy: -0.035 local terms energy: -69.684034 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -10.920 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: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -219.963167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.963167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.963167 (E_RNA) where: Base-Base interactions energy: -148.639 where: short stacking energy: -67.633 Base-Backbone interact. energy: -0.000 local terms energy: -71.324067 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -14.857 flat angles P-C4'-P energy: -9.700 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: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -216.048969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.048969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.048969 (E_RNA) where: Base-Base interactions energy: -144.638 where: short stacking energy: -60.221 Base-Backbone interact. energy: -1.054 local terms energy: -70.356936 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -8.896 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -12.288 tors. eta vs tors. theta energy: -20.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -214.381170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.381170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.381170 (E_RNA) where: Base-Base interactions energy: -145.135 where: short stacking energy: -62.763 Base-Backbone interact. energy: -0.047 local terms energy: -69.198319 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -12.361 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: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -205.064462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.064462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.064462 (E_RNA) where: Base-Base interactions energy: -139.668 where: short stacking energy: -63.125 Base-Backbone interact. energy: 2.001 local terms energy: -67.396963 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -13.517 tors. eta vs tors. theta energy: -14.759 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: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -201.978477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.978477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.978477 (E_RNA) where: Base-Base interactions energy: -133.190 where: short stacking energy: -53.945 Base-Backbone interact. energy: -1.182 local terms energy: -67.606246 where: bonds (distance) C4'-P energy: -14.387 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -11.314 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -18.685 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: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -198.967704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.967704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.967704 (E_RNA) where: Base-Base interactions energy: -138.392 where: short stacking energy: -54.336 Base-Backbone interact. energy: -0.178 local terms energy: -60.397230 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -16.032 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -12.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -158.654313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.654313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.654313 (E_RNA) where: Base-Base interactions energy: -99.881 where: short stacking energy: -44.919 Base-Backbone interact. energy: -0.713 local terms energy: -58.059713 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -9.931 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -8.401 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: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -83.791643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.791643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.791643 (E_RNA) where: Base-Base interactions energy: -42.809 where: short stacking energy: -28.835 Base-Backbone interact. energy: -0.880 local terms energy: -40.102075 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -14.745 flat angles C4'-P-C4' energy: -11.786 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -85.772428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.772428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.772428 (E_RNA) where: Base-Base interactions energy: -34.514 where: short stacking energy: -24.138 Base-Backbone interact. energy: 0.026 local terms energy: -51.284206 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -9.783 tors. eta vs tors. theta energy: -4.670 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: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -217.591342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.591342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.591342 (E_RNA) where: Base-Base interactions energy: -146.019 where: short stacking energy: -67.680 Base-Backbone interact. energy: -0.057 local terms energy: -71.515903 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -11.717 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: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -215.694070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.694070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.694070 (E_RNA) where: Base-Base interactions energy: -148.748 where: short stacking energy: -68.832 Base-Backbone interact. energy: -0.197 local terms energy: -66.749047 where: bonds (distance) C4'-P energy: -14.975 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -21.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -218.251170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.251170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.251170 (E_RNA) where: Base-Base interactions energy: -144.389 where: short stacking energy: -63.389 Base-Backbone interact. energy: -0.279 local terms energy: -73.582906 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -14.832 flat angles P-C4'-P energy: -10.946 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: 4, replica: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -206.886660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.886660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.886660 (E_RNA) where: Base-Base interactions energy: -141.464 where: short stacking energy: -61.335 Base-Backbone interact. energy: -0.002 local terms energy: -65.420358 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -8.939 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: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -210.949433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.949433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.949433 (E_RNA) where: Base-Base interactions energy: -140.693 where: short stacking energy: -63.407 Base-Backbone interact. energy: -0.101 local terms energy: -70.155822 where: bonds (distance) C4'-P energy: -15.243 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -10.474 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: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -200.394427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.394427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.394427 (E_RNA) where: Base-Base interactions energy: -140.024 where: short stacking energy: -53.059 Base-Backbone interact. energy: -0.146 local terms energy: -60.224488 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -14.611 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -10.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -199.058083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.058083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.058083 (E_RNA) where: Base-Base interactions energy: -135.797 where: short stacking energy: -53.280 Base-Backbone interact. energy: -0.330 local terms energy: -62.931861 where: bonds (distance) C4'-P energy: -10.147 bonds (distance) P-C4' energy: -11.727 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -17.910 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: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -173.314229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.314229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.314229 (E_RNA) where: Base-Base interactions energy: -112.490 where: short stacking energy: -50.757 Base-Backbone interact. energy: -1.028 local terms energy: -59.796329 where: bonds (distance) C4'-P energy: -13.444 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -11.585 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -15.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -86.295887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.295887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.295887 (E_RNA) where: Base-Base interactions energy: -32.285 where: short stacking energy: -32.285 Base-Backbone interact. energy: -0.086 local terms energy: -53.924102 where: bonds (distance) C4'-P energy: -10.730 bonds (distance) P-C4' energy: -14.446 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -77.705608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.705608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.705608 (E_RNA) where: Base-Base interactions energy: -31.679 where: short stacking energy: -31.324 Base-Backbone interact. energy: 0.237 local terms energy: -46.263420 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -222.268095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.268095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.268095 (E_RNA) where: Base-Base interactions energy: -150.554 where: short stacking energy: -67.763 Base-Backbone interact. energy: -0.068 local terms energy: -71.646506 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -12.783 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -20.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -219.741497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.741497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.741497 (E_RNA) where: Base-Base interactions energy: -151.373 where: short stacking energy: -68.668 Base-Backbone interact. energy: -0.039 local terms energy: -68.328732 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -10.839 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: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -212.729773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.729773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.729773 (E_RNA) where: Base-Base interactions energy: -150.663 where: short stacking energy: -64.148 Base-Backbone interact. energy: -0.217 local terms energy: -61.850039 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -8.269 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -7.569 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: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -215.915352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.915352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.915352 (E_RNA) where: Base-Base interactions energy: -141.851 where: short stacking energy: -65.264 Base-Backbone interact. energy: -0.869 local terms energy: -73.195791 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -11.340 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -12.595 tors. eta vs tors. theta energy: -21.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -180.357431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.357431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.357431 (E_RNA) where: Base-Base interactions energy: -125.554 where: short stacking energy: -51.880 Base-Backbone interact. energy: -0.050 local terms energy: -54.753395 where: bonds (distance) C4'-P energy: -9.360 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -5.199 tors. eta vs tors. theta energy: -13.577 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: 10 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -203.627001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.627001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.627001 (E_RNA) where: Base-Base interactions energy: -141.790 where: short stacking energy: -57.042 Base-Backbone interact. energy: 0.562 local terms energy: -62.399141 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -13.670 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -10.726 tors. eta vs tors. theta energy: -14.120 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: 320 Temperature: 1.200000 Total energy: -206.929712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.929712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.929712 (E_RNA) where: Base-Base interactions energy: -140.504 where: short stacking energy: -57.226 Base-Backbone interact. energy: -0.050 local terms energy: -66.376110 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -14.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -151.983286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.983286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.983286 (E_RNA) where: Base-Base interactions energy: -96.045 where: short stacking energy: -42.923 Base-Backbone interact. energy: 0.065 local terms energy: -56.002635 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -9.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -90.956813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.956813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.956813 (E_RNA) where: Base-Base interactions energy: -41.008 where: short stacking energy: -35.330 Base-Backbone interact. energy: -0.056 local terms energy: -49.892488 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -13.084 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -8.407 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: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -78.638306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.638306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.638306 (E_RNA) where: Base-Base interactions energy: -33.265 where: short stacking energy: -30.196 Base-Backbone interact. energy: -0.019 local terms energy: -45.354755 where: bonds (distance) C4'-P energy: -10.603 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -4.540 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: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -214.286567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.286567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.286567 (E_RNA) where: Base-Base interactions energy: -149.147 where: short stacking energy: -61.941 Base-Backbone interact. energy: 0.714 local terms energy: -65.853564 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -12.154 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -17.035 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: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -223.572436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.572436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.572436 (E_RNA) where: Base-Base interactions energy: -155.726 where: short stacking energy: -64.223 Base-Backbone interact. energy: -0.019 local terms energy: -67.827361 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -9.120 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: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -215.787552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.787552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.787552 (E_RNA) where: Base-Base interactions energy: -149.150 where: short stacking energy: -68.250 Base-Backbone interact. energy: -0.012 local terms energy: -66.625692 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -7.301 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: 4, replica: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -217.424629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.424629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.424629 (E_RNA) where: Base-Base interactions energy: -146.627 where: short stacking energy: -62.684 Base-Backbone interact. energy: -0.012 local terms energy: -70.785387 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -11.080 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -19.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -174.194989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.194989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.194989 (E_RNA) where: Base-Base interactions energy: -115.724 where: short stacking energy: -53.601 Base-Backbone interact. energy: -0.202 local terms energy: -58.269324 where: bonds (distance) C4'-P energy: -13.850 bonds (distance) P-C4' energy: -12.013 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -12.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -208.086212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.086212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.086212 (E_RNA) where: Base-Base interactions energy: -139.939 where: short stacking energy: -62.423 Base-Backbone interact. energy: -0.001 local terms energy: -68.146339 where: bonds (distance) C4'-P energy: -11.696 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -17.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -182.454155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.454155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.454155 (E_RNA) where: Base-Base interactions energy: -131.926 where: short stacking energy: -47.582 Base-Backbone interact. energy: -0.396 local terms energy: -50.132236 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -9.747 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -10.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -155.596019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.596019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.596019 (E_RNA) where: Base-Base interactions energy: -100.557 where: short stacking energy: -46.369 Base-Backbone interact. energy: -0.151 local terms energy: -54.888190 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -13.181 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -6.183 tors. eta vs tors. theta energy: -11.914 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: 321 Temperature: 1.300000 Total energy: -86.281164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.281164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.281164 (E_RNA) where: Base-Base interactions energy: -33.444 where: short stacking energy: -28.805 Base-Backbone interact. energy: 0.404 local terms energy: -53.241128 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -76.544142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.544142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.544142 (E_RNA) where: Base-Base interactions energy: -29.672 where: short stacking energy: -29.262 Base-Backbone interact. energy: -0.126 local terms energy: -46.745924 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -9.542 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -226.723411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.723411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.723411 (E_RNA) where: Base-Base interactions energy: -155.903 where: short stacking energy: -66.252 Base-Backbone interact. energy: -0.273 local terms energy: -70.548324 where: bonds (distance) C4'-P energy: -14.291 bonds (distance) P-C4' energy: -11.448 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -18.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -210.328257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.328257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.328257 (E_RNA) where: Base-Base interactions energy: -140.785 where: short stacking energy: -62.227 Base-Backbone interact. energy: -0.532 local terms energy: -69.011676 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -11.522 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -12.432 tors. eta vs tors. theta energy: -17.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -208.717125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.717125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.717125 (E_RNA) where: Base-Base interactions energy: -142.830 where: short stacking energy: -60.441 Base-Backbone interact. energy: -0.248 local terms energy: -65.638243 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -11.622 tors. eta vs tors. theta energy: -15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -212.668772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.668772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.668772 (E_RNA) where: Base-Base interactions energy: -147.357 where: short stacking energy: -63.848 Base-Backbone interact. energy: -0.150 local terms energy: -65.161885 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -11.167 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -16.274 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: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -200.245441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.245441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.245441 (E_RNA) where: Base-Base interactions energy: -135.158 where: short stacking energy: -57.845 Base-Backbone interact. energy: -0.007 local terms energy: -65.080019 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -11.601 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -10.280 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: 322 Temperature: 1.150000 Total energy: -188.825779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.825779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.825779 (E_RNA) where: Base-Base interactions energy: -121.732 where: short stacking energy: -51.048 Base-Backbone interact. energy: -0.060 local terms energy: -67.034247 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -12.031 flat angles C4'-P-C4' energy: -16.699 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -13.790 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: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -196.560936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.560936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.560936 (E_RNA) where: Base-Base interactions energy: -136.388 where: short stacking energy: -55.187 Base-Backbone interact. energy: -0.001 local terms energy: -60.172205 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -15.454 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: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -172.463983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.463983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.463983 (E_RNA) where: Base-Base interactions energy: -117.586 where: short stacking energy: -43.154 Base-Backbone interact. energy: -0.330 local terms energy: -54.547260 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -10.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -74.920501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.920501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.920501 (E_RNA) where: Base-Base interactions energy: -25.626 where: short stacking energy: -25.626 Base-Backbone interact. energy: 0.018 local terms energy: -49.311985 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -14.193 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -90.060939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.060939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.060939 (E_RNA) where: Base-Base interactions energy: -45.630 where: short stacking energy: -34.311 Base-Backbone interact. energy: -0.119 local terms energy: -44.311845 where: bonds (distance) C4'-P energy: -9.171 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -224.030442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.030442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.030442 (E_RNA) where: Base-Base interactions energy: -149.517 where: short stacking energy: -65.980 Base-Backbone interact. energy: -0.003 local terms energy: -74.510458 where: bonds (distance) C4'-P energy: -11.360 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -16.718 flat angles P-C4'-P energy: -13.859 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: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -214.920004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.920004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.920004 (E_RNA) where: Base-Base interactions energy: -144.106 where: short stacking energy: -63.532 Base-Backbone interact. energy: -0.691 local terms energy: -70.122833 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -10.844 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: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -217.506499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.506499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.506499 (E_RNA) where: Base-Base interactions energy: -149.055 where: short stacking energy: -66.492 Base-Backbone interact. energy: -0.074 local terms energy: -68.377952 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -14.797 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -20.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -210.649749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.649749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.649749 (E_RNA) where: Base-Base interactions energy: -142.728 where: short stacking energy: -61.626 Base-Backbone interact. energy: -0.155 local terms energy: -67.767134 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -17.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -208.334476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.334476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.334476 (E_RNA) where: Base-Base interactions energy: -150.851 where: short stacking energy: -56.978 Base-Backbone interact. energy: -0.036 local terms energy: -57.447585 where: bonds (distance) C4'-P energy: -10.198 bonds (distance) P-C4' energy: -14.750 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -13.980 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: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -204.124018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.124018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.124018 (E_RNA) where: Base-Base interactions energy: -134.458 where: short stacking energy: -59.828 Base-Backbone interact. energy: -2.098 local terms energy: -67.567951 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -15.069 flat angles P-C4'-P energy: -8.660 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: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -194.619125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.619125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.619125 (E_RNA) where: Base-Base interactions energy: -123.442 where: short stacking energy: -48.019 Base-Backbone interact. energy: -0.124 local terms energy: -71.052337 where: bonds (distance) C4'-P energy: -15.562 bonds (distance) P-C4' energy: -14.897 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -11.329 tors. eta vs tors. theta energy: -16.444 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: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -176.715493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.715493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.715493 (E_RNA) where: Base-Base interactions energy: -119.761 where: short stacking energy: -44.537 Base-Backbone interact. energy: -0.129 local terms energy: -56.825544 where: bonds (distance) C4'-P energy: -11.592 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -9.818 tors. eta vs tors. theta energy: -9.736 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: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -91.955742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.955742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.955742 (E_RNA) where: Base-Base interactions energy: -40.863 where: short stacking energy: -39.346 Base-Backbone interact. energy: -0.178 local terms energy: -50.915513 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -10.822 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -75.820830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.820830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.820830 (E_RNA) where: Base-Base interactions energy: -25.610 where: short stacking energy: -25.610 Base-Backbone interact. energy: -0.172 local terms energy: -50.039389 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -15.190 flat angles C4'-P-C4' energy: -9.537 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -224.141617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.141617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.141617 (E_RNA) where: Base-Base interactions energy: -146.628 where: short stacking energy: -67.049 Base-Backbone interact. energy: -0.001 local terms energy: -77.512527 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -16.563 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -19.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -219.467188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.467188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.467188 (E_RNA) where: Base-Base interactions energy: -158.876 where: short stacking energy: -68.802 Base-Backbone interact. energy: -0.642 local terms energy: -59.949717 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -11.896 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -18.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -214.024902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.024902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.024902 (E_RNA) where: Base-Base interactions energy: -146.275 where: short stacking energy: -66.709 Base-Backbone interact. energy: -0.045 local terms energy: -67.704444 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -10.225 tors. eta vs tors. theta energy: -20.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -210.309303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.309303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.309303 (E_RNA) where: Base-Base interactions energy: -147.673 where: short stacking energy: -63.663 Base-Backbone interact. energy: -0.005 local terms energy: -62.631851 where: bonds (distance) C4'-P energy: -8.530 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -11.454 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: 5, replica: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -205.373706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.373706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.373706 (E_RNA) where: Base-Base interactions energy: -138.424 where: short stacking energy: -59.323 Base-Backbone interact. energy: -0.280 local terms energy: -66.669450 where: bonds (distance) C4'-P energy: -11.774 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -9.866 tors. eta vs tors. theta energy: -15.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -202.686430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.686430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.686430 (E_RNA) where: Base-Base interactions energy: -137.266 where: short stacking energy: -56.862 Base-Backbone interact. energy: -0.048 local terms energy: -65.372698 where: bonds (distance) C4'-P energy: -14.987 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -8.905 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: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -191.508920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.508920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.508920 (E_RNA) where: Base-Base interactions energy: -127.214 where: short stacking energy: -57.601 Base-Backbone interact. energy: -0.631 local terms energy: -63.663194 where: bonds (distance) C4'-P energy: -9.580 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -19.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -196.760214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.760214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.760214 (E_RNA) where: Base-Base interactions energy: -130.854 where: short stacking energy: -51.643 Base-Backbone interact. energy: -0.561 local terms energy: -65.344620 where: bonds (distance) C4'-P energy: -11.047 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -14.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -77.124868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.124868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.124868 (E_RNA) where: Base-Base interactions energy: -24.725 where: short stacking energy: -22.927 Base-Backbone interact. energy: -0.744 local terms energy: -51.656158 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -81.919273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.919273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.919273 (E_RNA) where: Base-Base interactions energy: -34.302 where: short stacking energy: -34.302 Base-Backbone interact. energy: 0.023 local terms energy: -47.639858 where: bonds (distance) C4'-P energy: -7.358 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -10.247 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -6.657 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: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -219.569340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.569340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.569340 (E_RNA) where: Base-Base interactions energy: -147.927 where: short stacking energy: -64.977 Base-Backbone interact. energy: -0.976 local terms energy: -70.665450 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -11.105 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: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -219.668176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.668176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.668176 (E_RNA) where: Base-Base interactions energy: -145.712 where: short stacking energy: -65.209 Base-Backbone interact. energy: -0.056 local terms energy: -73.900445 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -15.191 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -19.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -214.727229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.727229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.727229 (E_RNA) where: Base-Base interactions energy: -144.883 where: short stacking energy: -66.535 Base-Backbone interact. energy: -0.066 local terms energy: -69.777943 where: bonds (distance) C4'-P energy: -10.652 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -12.098 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: 4, replica: 4 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -212.960045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.960045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.960045 (E_RNA) where: Base-Base interactions energy: -142.007 where: short stacking energy: -66.197 Base-Backbone interact. energy: -0.200 local terms energy: -70.753414 where: bonds (distance) C4'-P energy: -14.664 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -20.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -196.515842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.515842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.515842 (E_RNA) where: Base-Base interactions energy: -136.772 where: short stacking energy: -56.903 Base-Backbone interact. energy: -0.095 local terms energy: -59.648714 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -11.243 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -18.916 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: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -203.976770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.976770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.976770 (E_RNA) where: Base-Base interactions energy: -136.018 where: short stacking energy: -56.786 Base-Backbone interact. energy: -0.192 local terms energy: -67.767415 where: bonds (distance) C4'-P energy: -15.121 bonds (distance) P-C4' energy: -16.066 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -15.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -194.022929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.022929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.022929 (E_RNA) where: Base-Base interactions energy: -133.774 where: short stacking energy: -55.353 Base-Backbone interact. energy: -0.525 local terms energy: -59.724164 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -13.236 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: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -191.889701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.889701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.889701 (E_RNA) where: Base-Base interactions energy: -132.515 where: short stacking energy: -48.970 Base-Backbone interact. energy: -0.143 local terms energy: -59.231815 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -15.166 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -9.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -77.664206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.664206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.664206 (E_RNA) where: Base-Base interactions energy: -32.793 where: short stacking energy: -32.793 Base-Backbone interact. energy: 0.594 local terms energy: -45.464604 where: bonds (distance) C4'-P energy: -10.396 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -76.446084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.446084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.446084 (E_RNA) where: Base-Base interactions energy: -32.313 where: short stacking energy: -30.125 Base-Backbone interact. energy: 0.011 local terms energy: -44.144395 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -3.153 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: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -221.022738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.022738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.022738 (E_RNA) where: Base-Base interactions energy: -150.310 where: short stacking energy: -64.687 Base-Backbone interact. energy: -0.001 local terms energy: -70.712519 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -16.639 flat angles C4'-P-C4' energy: -11.248 flat angles P-C4'-P energy: -10.943 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: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -215.528173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.528173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.528173 (E_RNA) where: Base-Base interactions energy: -144.250 where: short stacking energy: -62.844 Base-Backbone interact. energy: -0.159 local terms energy: -71.118923 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -7.933 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: 3, replica: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -216.617539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.617539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.617539 (E_RNA) where: Base-Base interactions energy: -149.958 where: short stacking energy: -68.694 Base-Backbone interact. energy: -0.180 local terms energy: -66.479737 where: bonds (distance) C4'-P energy: -8.499 bonds (distance) P-C4' energy: -11.850 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -12.369 tors. eta vs tors. theta energy: -19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -213.108093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.108093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.108093 (E_RNA) where: Base-Base interactions energy: -145.924 where: short stacking energy: -61.053 Base-Backbone interact. energy: -0.005 local terms energy: -67.179073 where: bonds (distance) C4'-P energy: -10.288 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -11.276 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: 5, replica: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -202.510876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.510876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.510876 (E_RNA) where: Base-Base interactions energy: -142.100 where: short stacking energy: -59.010 Base-Backbone interact. energy: -0.233 local terms energy: -60.178429 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -6.555 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: 6, replica: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -204.517881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.517881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.517881 (E_RNA) where: Base-Base interactions energy: -135.653 where: short stacking energy: -60.631 Base-Backbone interact. energy: -0.483 local terms energy: -68.381513 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -15.319 flat angles P-C4'-P energy: -9.705 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: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -202.478377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.478377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.478377 (E_RNA) where: Base-Base interactions energy: -136.936 where: short stacking energy: -56.611 Base-Backbone interact. energy: -0.209 local terms energy: -65.332824 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -11.192 tors. eta vs tors. theta energy: -14.417 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: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -201.439094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.439094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.439094 (E_RNA) where: Base-Base interactions energy: -140.540 where: short stacking energy: -58.425 Base-Backbone interact. energy: -0.024 local terms energy: -60.874530 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -18.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -70.748277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.748277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.748277 (E_RNA) where: Base-Base interactions energy: -28.078 where: short stacking energy: -28.078 Base-Backbone interact. energy: -0.277 local terms energy: -42.393302 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -10.164 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -81.621931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.621931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.621931 (E_RNA) where: Base-Base interactions energy: -45.296 where: short stacking energy: -23.191 Base-Backbone interact. energy: -0.324 local terms energy: -36.001977 where: bonds (distance) C4'-P energy: -10.448 bonds (distance) P-C4' energy: -12.498 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -0.765 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: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -217.673861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.673861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.673861 (E_RNA) where: Base-Base interactions energy: -151.201 where: short stacking energy: -55.836 Base-Backbone interact. energy: -0.037 local terms energy: -66.435953 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -13.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -212.897028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.897028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.897028 (E_RNA) where: Base-Base interactions energy: -145.179 where: short stacking energy: -61.725 Base-Backbone interact. energy: -0.746 local terms energy: -66.971607 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -15.040 flat angles P-C4'-P energy: -9.170 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: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -214.183859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.183859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.183859 (E_RNA) where: Base-Base interactions energy: -142.822 where: short stacking energy: -63.798 Base-Backbone interact. energy: -0.814 local terms energy: -70.547571 where: bonds (distance) C4'-P energy: -14.073 bonds (distance) P-C4' energy: -16.070 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -9.802 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: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -210.672738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.672738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.672738 (E_RNA) where: Base-Base interactions energy: -146.751 where: short stacking energy: -63.850 Base-Backbone interact. energy: -0.200 local terms energy: -63.721450 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -17.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -208.109543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.109543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.109543 (E_RNA) where: Base-Base interactions energy: -141.781 where: short stacking energy: -60.103 Base-Backbone interact. energy: -0.608 local terms energy: -65.720859 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -11.132 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -7.486 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: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -199.384650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.384650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.384650 (E_RNA) where: Base-Base interactions energy: -139.755 where: short stacking energy: -49.336 Base-Backbone interact. energy: -0.116 local terms energy: -59.513498 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -13.087 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: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -180.537613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.537613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.537613 (E_RNA) where: Base-Base interactions energy: -129.138 where: short stacking energy: -48.717 Base-Backbone interact. energy: -0.134 local terms energy: -51.265899 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -9.164 flat angles C4'-P-C4' energy: -9.915 flat angles P-C4'-P energy: -9.517 tors. eta vs tors. theta energy: -8.954 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: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -178.216014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.216014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.216014 (E_RNA) where: Base-Base interactions energy: -124.744 where: short stacking energy: -50.318 Base-Backbone interact. energy: -0.218 local terms energy: -53.253975 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -10.593 flat angles C4'-P-C4' energy: -9.818 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -12.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -99.279875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.279875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.279875 (E_RNA) where: Base-Base interactions energy: -63.958 where: short stacking energy: -39.702 Base-Backbone interact. energy: 0.143 local terms energy: -35.464578 where: bonds (distance) C4'-P energy: -10.856 bonds (distance) P-C4' energy: -5.652 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: 0.606 tors. eta vs tors. theta energy: -8.999 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: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -69.568629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.568629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.568629 (E_RNA) where: Base-Base interactions energy: -28.286 where: short stacking energy: -27.026 Base-Backbone interact. energy: -0.127 local terms energy: -41.156019 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -11.111 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -0.552 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: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -226.923364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.923364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.923364 (E_RNA) where: Base-Base interactions energy: -160.247 where: short stacking energy: -63.440 Base-Backbone interact. energy: -0.027 local terms energy: -66.649567 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -14.248 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: 328 Temperature: 0.950000 Total energy: -212.931337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.931337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.931337 (E_RNA) where: Base-Base interactions energy: -150.742 where: short stacking energy: -67.774 Base-Backbone interact. energy: -0.083 local terms energy: -62.106729 where: bonds (distance) C4'-P energy: -7.468 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -215.128111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.128111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.128111 (E_RNA) where: Base-Base interactions energy: -150.674 where: short stacking energy: -67.616 Base-Backbone interact. energy: -0.001 local terms energy: -64.452804 where: bonds (distance) C4'-P energy: -14.610 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -18.607 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: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -210.558161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.558161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.558161 (E_RNA) where: Base-Base interactions energy: -145.160 where: short stacking energy: -67.803 Base-Backbone interact. energy: 1.126 local terms energy: -66.523885 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -9.545 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -13.335 tors. eta vs tors. theta energy: -18.266 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: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -214.142035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.142035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.142035 (E_RNA) where: Base-Base interactions energy: -150.783 where: short stacking energy: -67.325 Base-Backbone interact. energy: -0.709 local terms energy: -62.650404 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -11.025 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: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -200.251604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.251604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.251604 (E_RNA) where: Base-Base interactions energy: -141.141 where: short stacking energy: -59.644 Base-Backbone interact. energy: -0.011 local terms energy: -59.099886 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -9.968 flat angles P-C4'-P energy: -7.730 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: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -193.070950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.070950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.070950 (E_RNA) where: Base-Base interactions energy: -133.400 where: short stacking energy: -57.645 Base-Backbone interact. energy: -0.652 local terms energy: -59.019025 where: bonds (distance) C4'-P energy: -11.390 bonds (distance) P-C4' energy: -11.347 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -14.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -188.790908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.790908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.790908 (E_RNA) where: Base-Base interactions energy: -129.331 where: short stacking energy: -52.865 Base-Backbone interact. energy: -0.086 local terms energy: -59.374732 where: bonds (distance) C4'-P energy: -10.205 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -13.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -77.909762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.909762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.909762 (E_RNA) where: Base-Base interactions energy: -33.215 where: short stacking energy: -33.215 Base-Backbone interact. energy: 0.974 local terms energy: -45.668812 where: bonds (distance) C4'-P energy: -8.566 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -8.951 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -5.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -82.669089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.669089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.669089 (E_RNA) where: Base-Base interactions energy: -40.047 where: short stacking energy: -34.161 Base-Backbone interact. energy: -0.091 local terms energy: -42.531279 where: bonds (distance) C4'-P energy: -8.905 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -6.840 tors. eta vs tors. theta energy: -8.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -222.911358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.911358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.911358 (E_RNA) where: Base-Base interactions energy: -152.430 where: short stacking energy: -68.912 Base-Backbone interact. energy: -0.017 local terms energy: -70.464412 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -11.209 flat angles C4'-P-C4' energy: -16.201 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -18.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -217.863684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.863684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.863684 (E_RNA) where: Base-Base interactions energy: -145.239 where: short stacking energy: -63.326 Base-Backbone interact. energy: -0.123 local terms energy: -72.501621 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -16.276 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -18.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -224.181868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.181868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.181868 (E_RNA) where: Base-Base interactions energy: -148.733 where: short stacking energy: -64.698 Base-Backbone interact. energy: -0.777 local terms energy: -74.672143 where: bonds (distance) C4'-P energy: -14.383 bonds (distance) P-C4' energy: -16.872 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -11.547 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: 329 Temperature: 1.050000 Total energy: -216.877586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.877586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.877586 (E_RNA) where: Base-Base interactions energy: -148.948 where: short stacking energy: -66.472 Base-Backbone interact. energy: -0.733 local terms energy: -67.196982 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -16.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -209.134025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.134025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.134025 (E_RNA) where: Base-Base interactions energy: -139.340 where: short stacking energy: -64.998 Base-Backbone interact. energy: -0.284 local terms energy: -69.510904 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -14.110 flat angles P-C4'-P energy: -12.051 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: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -205.571623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.571623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.571623 (E_RNA) where: Base-Base interactions energy: -140.002 where: short stacking energy: -55.667 Base-Backbone interact. energy: -1.550 local terms energy: -64.019042 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -11.350 tors. eta vs tors. theta energy: -12.980 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: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -200.442059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.442059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.442059 (E_RNA) where: Base-Base interactions energy: -138.508 where: short stacking energy: -56.760 Base-Backbone interact. energy: -0.018 local terms energy: -61.916230 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -14.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -189.908459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.908459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.908459 (E_RNA) where: Base-Base interactions energy: -129.522 where: short stacking energy: -56.741 Base-Backbone interact. energy: -0.000 local terms energy: -60.386114 where: bonds (distance) C4'-P energy: -9.564 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -7.916 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: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -77.441376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.441376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.441376 (E_RNA) where: Base-Base interactions energy: -28.345 where: short stacking energy: -21.815 Base-Backbone interact. energy: -0.104 local terms energy: -48.992369 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -72.335702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.335702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.335702 (E_RNA) where: Base-Base interactions energy: -24.244 where: short stacking energy: -24.736 Base-Backbone interact. energy: 0.151 local terms energy: -48.242545 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -10.632 flat angles C4'-P-C4' energy: -10.658 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -6.609 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: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -226.764210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.764210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.764210 (E_RNA) where: Base-Base interactions energy: -152.249 where: short stacking energy: -68.821 Base-Backbone interact. energy: -0.102 local terms energy: -74.412448 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -10.732 tors. eta vs tors. theta energy: -20.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -211.548562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.548562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.548562 (E_RNA) where: Base-Base interactions energy: -143.201 where: short stacking energy: -54.570 Base-Backbone interact. energy: -0.301 local terms energy: -68.046153 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -216.102413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.102413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.102413 (E_RNA) where: Base-Base interactions energy: -142.445 where: short stacking energy: -66.904 Base-Backbone interact. energy: -0.911 local terms energy: -72.746475 where: bonds (distance) C4'-P energy: -16.133 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -10.831 tors. eta vs tors. theta energy: -20.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -212.370091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.370091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.370091 (E_RNA) where: Base-Base interactions energy: -146.683 where: short stacking energy: -59.723 Base-Backbone interact. energy: 1.556 local terms energy: -67.242739 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -9.070 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: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -210.403552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.403552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.403552 (E_RNA) where: Base-Base interactions energy: -143.095 where: short stacking energy: -60.325 Base-Backbone interact. energy: -0.520 local terms energy: -66.788268 where: bonds (distance) C4'-P energy: -12.077 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -10.242 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: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -205.645568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.645568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.645568 (E_RNA) where: Base-Base interactions energy: -140.136 where: short stacking energy: -55.559 Base-Backbone interact. energy: -0.091 local terms energy: -65.418286 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -12.861 flat angles P-C4'-P energy: -12.142 tors. eta vs tors. theta energy: -12.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -199.199287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.199287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.199287 (E_RNA) where: Base-Base interactions energy: -134.381 where: short stacking energy: -54.616 Base-Backbone interact. energy: -0.143 local terms energy: -64.675752 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -16.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -178.445961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.445961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.445961 (E_RNA) where: Base-Base interactions energy: -129.601 where: short stacking energy: -49.149 Base-Backbone interact. energy: -0.196 local terms energy: -48.648898 where: bonds (distance) C4'-P energy: -6.869 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -6.894 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: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -75.958680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.958680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.958680 (E_RNA) where: Base-Base interactions energy: -31.852 where: short stacking energy: -29.453 Base-Backbone interact. energy: -0.091 local terms energy: -44.016619 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -8.401 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -4.704 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: 330 Temperature: 1.350000 Total energy: -81.378096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.378096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.378096 (E_RNA) where: Base-Base interactions energy: -35.827 where: short stacking energy: -23.230 Base-Backbone interact. energy: 2.717 local terms energy: -48.267477 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -10.361 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -4.843 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: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -226.526636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.526636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.526636 (E_RNA) where: Base-Base interactions energy: -152.738 where: short stacking energy: -66.859 Base-Backbone interact. energy: -0.078 local terms energy: -73.711113 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -12.960 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -12.563 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: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -214.428410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.428410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.428410 (E_RNA) where: Base-Base interactions energy: -148.328 where: short stacking energy: -62.000 Base-Backbone interact. energy: -0.130 local terms energy: -65.970101 where: bonds (distance) C4'-P energy: -14.204 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -11.249 tors. eta vs tors. theta energy: -15.024 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: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -214.272184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.272184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.272184 (E_RNA) where: Base-Base interactions energy: -143.641 where: short stacking energy: -56.522 Base-Backbone interact. energy: -0.008 local terms energy: -70.622888 where: bonds (distance) C4'-P energy: -15.439 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -11.068 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: 331 Temperature: 1.050000 Total energy: -204.530858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.530858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.530858 (E_RNA) where: Base-Base interactions energy: -140.114 where: short stacking energy: -60.376 Base-Backbone interact. energy: -0.060 local terms energy: -64.356317 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -10.123 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: 5, replica: 3 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -200.857276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.857276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.857276 (E_RNA) where: Base-Base interactions energy: -139.233 where: short stacking energy: -59.596 Base-Backbone interact. energy: -0.619 local terms energy: -61.005184 where: bonds (distance) C4'-P energy: -11.858 bonds (distance) P-C4' energy: -14.091 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -8.005 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: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -201.348352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.348352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.348352 (E_RNA) where: Base-Base interactions energy: -135.992 where: short stacking energy: -56.346 Base-Backbone interact. energy: -0.166 local terms energy: -65.190312 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -14.415 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -5.548 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: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -174.178808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.178808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.178808 (E_RNA) where: Base-Base interactions energy: -124.686 where: short stacking energy: -50.593 Base-Backbone interact. energy: -0.007 local terms energy: -49.485833 where: bonds (distance) C4'-P energy: -7.985 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -13.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -181.184519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.184519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.184519 (E_RNA) where: Base-Base interactions energy: -131.429 where: short stacking energy: -48.951 Base-Backbone interact. energy: -0.187 local terms energy: -49.568575 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -10.528 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -7.354 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: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -76.414198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.414198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.414198 (E_RNA) where: Base-Base interactions energy: -27.840 where: short stacking energy: -27.624 Base-Backbone interact. energy: 0.260 local terms energy: -48.834311 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -9.710 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -81.674526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.674526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.674526 (E_RNA) where: Base-Base interactions energy: -33.532 where: short stacking energy: -33.532 Base-Backbone interact. energy: -0.031 local terms energy: -48.111661 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -9.502 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -221.084017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.084017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.084017 (E_RNA) where: Base-Base interactions energy: -148.469 where: short stacking energy: -64.122 Base-Backbone interact. energy: -0.053 local terms energy: -72.561882 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -16.294 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -16.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -215.403284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.403284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.403284 (E_RNA) where: Base-Base interactions energy: -142.906 where: short stacking energy: -62.709 Base-Backbone interact. energy: -0.012 local terms energy: -72.484880 where: bonds (distance) C4'-P energy: -14.421 bonds (distance) P-C4' energy: -14.346 flat angles C4'-P-C4' energy: -15.727 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -18.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -211.329986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.329986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.329986 (E_RNA) where: Base-Base interactions energy: -145.027 where: short stacking energy: -64.077 Base-Backbone interact. energy: -0.371 local terms energy: -65.931748 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -10.068 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -19.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -204.186356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.186356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.186356 (E_RNA) where: Base-Base interactions energy: -138.743 where: short stacking energy: -52.279 Base-Backbone interact. energy: -0.148 local terms energy: -65.294564 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -11.067 tors. eta vs tors. theta energy: -13.051 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: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -203.941136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.941136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.941136 (E_RNA) where: Base-Base interactions energy: -137.497 where: short stacking energy: -58.036 Base-Backbone interact. energy: -0.129 local terms energy: -66.314985 where: bonds (distance) C4'-P energy: -9.253 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -12.796 tors. eta vs tors. theta energy: -16.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -204.504852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.504852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.504852 (E_RNA) where: Base-Base interactions energy: -140.635 where: short stacking energy: -61.998 Base-Backbone interact. energy: -0.730 local terms energy: -63.139553 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -7.804 flat angles C4'-P-C4' energy: -14.777 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -17.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -193.523087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.523087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.523087 (E_RNA) where: Base-Base interactions energy: -131.901 where: short stacking energy: -56.197 Base-Backbone interact. energy: 0.458 local terms energy: -62.080056 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -10.650 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -165.336504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.336504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.336504 (E_RNA) where: Base-Base interactions energy: -113.720 where: short stacking energy: -48.273 Base-Backbone interact. energy: -0.021 local terms energy: -51.595822 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -9.203 tors. eta vs tors. theta energy: -12.398 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: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -81.978216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.978216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.978216 (E_RNA) where: Base-Base interactions energy: -36.822 where: short stacking energy: -28.301 Base-Backbone interact. energy: -0.099 local terms energy: -45.056871 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -9.173 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -8.216 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: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -73.679170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.679170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.679170 (E_RNA) where: Base-Base interactions energy: -21.281 where: short stacking energy: -21.281 Base-Backbone interact. energy: -0.107 local terms energy: -52.291747 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -9.844 flat angles P-C4'-P energy: -9.543 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -228.328767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.328767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.328767 (E_RNA) where: Base-Base interactions energy: -148.732 where: short stacking energy: -61.987 Base-Backbone interact. energy: -0.292 local terms energy: -79.304580 where: bonds (distance) C4'-P energy: -16.668 bonds (distance) P-C4' energy: -15.604 flat angles C4'-P-C4' energy: -17.423 flat angles P-C4'-P energy: -10.566 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: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -216.379653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.379653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.379653 (E_RNA) where: Base-Base interactions energy: -145.851 where: short stacking energy: -66.148 Base-Backbone interact. energy: -1.727 local terms energy: -68.801974 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -15.620 flat angles P-C4'-P energy: -9.501 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: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -214.146373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.146373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.146373 (E_RNA) where: Base-Base interactions energy: -142.685 where: short stacking energy: -63.980 Base-Backbone interact. energy: -0.293 local terms energy: -71.168334 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -16.030 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -10.709 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: 4, replica: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -205.432237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.432237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.432237 (E_RNA) where: Base-Base interactions energy: -140.849 where: short stacking energy: -59.481 Base-Backbone interact. energy: -0.200 local terms energy: -64.383771 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -14.234 flat angles P-C4'-P energy: -8.429 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: 5, replica: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -199.310168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.310168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.310168 (E_RNA) where: Base-Base interactions energy: -133.315 where: short stacking energy: -54.513 Base-Backbone interact. energy: -0.689 local terms energy: -65.305424 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -9.612 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: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -201.513704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.513704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.513704 (E_RNA) where: Base-Base interactions energy: -137.059 where: short stacking energy: -60.403 Base-Backbone interact. energy: -0.018 local terms energy: -64.435959 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -14.685 flat angles C4'-P-C4' energy: -12.483 flat angles P-C4'-P energy: -9.569 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: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -198.869871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.869871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.869871 (E_RNA) where: Base-Base interactions energy: -142.813 where: short stacking energy: -56.370 Base-Backbone interact. energy: -0.119 local terms energy: -55.937542 where: bonds (distance) C4'-P energy: -10.982 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -13.968 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: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -164.074659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.074659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.074659 (E_RNA) where: Base-Base interactions energy: -105.843 where: short stacking energy: -49.395 Base-Backbone interact. energy: -0.001 local terms energy: -58.230426 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -11.827 flat angles P-C4'-P energy: -6.613 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: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -76.288347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.288347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.288347 (E_RNA) where: Base-Base interactions energy: -36.520 where: short stacking energy: -31.070 Base-Backbone interact. energy: -1.194 local terms energy: -38.573922 where: bonds (distance) C4'-P energy: -8.798 bonds (distance) P-C4' energy: -10.988 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -3.152 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: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -80.317322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.317322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.317322 (E_RNA) where: Base-Base interactions energy: -37.263 where: short stacking energy: -32.039 Base-Backbone interact. energy: -0.376 local terms energy: -42.678432 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -12.786 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -3.967 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: 334 Temperature: 0.900000 Total energy: -226.007736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.007736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.007736 (E_RNA) where: Base-Base interactions energy: -151.735 where: short stacking energy: -69.031 Base-Backbone interact. energy: -0.017 local terms energy: -74.255501 where: bonds (distance) C4'-P energy: -11.858 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -11.413 tors. eta vs tors. theta energy: -20.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -221.786893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.786893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.786893 (E_RNA) where: Base-Base interactions energy: -150.100 where: short stacking energy: -69.072 Base-Backbone interact. energy: -0.239 local terms energy: -71.447905 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -14.666 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -21.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -206.529107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.529107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.529107 (E_RNA) where: Base-Base interactions energy: -133.896 where: short stacking energy: -54.964 Base-Backbone interact. energy: -0.276 local terms energy: -72.357771 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -12.493 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: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -215.613574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.613574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.613574 (E_RNA) where: Base-Base interactions energy: -138.225 where: short stacking energy: -65.053 Base-Backbone interact. energy: -2.896 local terms energy: -74.492932 where: bonds (distance) C4'-P energy: -11.923 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -10.834 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: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -204.894772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.894772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.894772 (E_RNA) where: Base-Base interactions energy: -144.368 where: short stacking energy: -55.044 Base-Backbone interact. energy: 1.300 local terms energy: -61.826675 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -8.864 flat angles C4'-P-C4' energy: -13.467 flat angles P-C4'-P energy: -13.426 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: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -204.727832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.727832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.727832 (E_RNA) where: Base-Base interactions energy: -135.024 where: short stacking energy: -53.954 Base-Backbone interact. energy: -0.044 local terms energy: -69.659589 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -18.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -179.795387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.795387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.795387 (E_RNA) where: Base-Base interactions energy: -121.195 where: short stacking energy: -48.532 Base-Backbone interact. energy: -0.179 local terms energy: -58.421509 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -13.704 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -12.844 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: 334 Temperature: 1.250000 Total energy: -192.882831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.882831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.882831 (E_RNA) where: Base-Base interactions energy: -126.264 where: short stacking energy: -50.249 Base-Backbone interact. energy: -0.000 local terms energy: -66.619237 where: bonds (distance) C4'-P energy: -15.661 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -10.580 flat angles P-C4'-P energy: -8.963 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: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -74.875296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.875296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.875296 (E_RNA) where: Base-Base interactions energy: -28.621 where: short stacking energy: -28.621 Base-Backbone interact. energy: -0.093 local terms energy: -46.161944 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -73.908688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.908688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.908688 (E_RNA) where: Base-Base interactions energy: -26.416 where: short stacking energy: -26.416 Base-Backbone interact. energy: -0.236 local terms energy: -47.256392 where: bonds (distance) C4'-P energy: -13.232 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -9.312 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -6.887 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: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -220.397373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.397373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.397373 (E_RNA) where: Base-Base interactions energy: -149.584 where: short stacking energy: -63.289 Base-Backbone interact. energy: -0.721 local terms energy: -70.092272 where: bonds (distance) C4'-P energy: -14.669 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -8.484 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: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -221.777904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.777904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.777904 (E_RNA) where: Base-Base interactions energy: -148.029 where: short stacking energy: -64.266 Base-Backbone interact. energy: -0.004 local terms energy: -73.745571 where: bonds (distance) C4'-P energy: -14.705 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -15.555 flat angles P-C4'-P energy: -8.101 tors. eta vs tors. theta energy: -18.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -217.838501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.838501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.838501 (E_RNA) where: Base-Base interactions energy: -149.668 where: short stacking energy: -70.844 Base-Backbone interact. energy: -0.219 local terms energy: -67.951212 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -19.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -208.567907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.567907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.567907 (E_RNA) where: Base-Base interactions energy: -134.911 where: short stacking energy: -60.138 Base-Backbone interact. energy: -0.238 local terms energy: -73.418801 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -15.740 flat angles P-C4'-P energy: -9.317 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: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -202.650155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.650155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.650155 (E_RNA) where: Base-Base interactions energy: -146.128 where: short stacking energy: -58.995 Base-Backbone interact. energy: -0.058 local terms energy: -56.464674 where: bonds (distance) C4'-P energy: -9.497 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -8.144 tors. eta vs tors. theta energy: -15.813 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: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -212.334025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.334025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.334025 (E_RNA) where: Base-Base interactions energy: -150.482 where: short stacking energy: -56.508 Base-Backbone interact. energy: -0.389 local terms energy: -61.463696 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -8.416 flat angles C4'-P-C4' energy: -15.442 flat angles P-C4'-P energy: -8.772 tors. eta vs tors. theta energy: -16.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -177.204912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.204912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.204912 (E_RNA) where: Base-Base interactions energy: -112.454 where: short stacking energy: -46.107 Base-Backbone interact. energy: -0.761 local terms energy: -63.990483 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -14.991 flat angles P-C4'-P energy: -11.253 tors. eta vs tors. theta energy: -10.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -163.321315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.321315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.321315 (E_RNA) where: Base-Base interactions energy: -109.515 where: short stacking energy: -52.088 Base-Backbone interact. energy: 0.216 local terms energy: -54.022691 where: bonds (distance) C4'-P energy: -8.574 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -13.902 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: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -96.782232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.782232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.782232 (E_RNA) where: Base-Base interactions energy: -41.505 where: short stacking energy: -41.505 Base-Backbone interact. energy: -0.001 local terms energy: -55.275987 where: bonds (distance) C4'-P energy: -13.691 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -7.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -74.635525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.635525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.635525 (E_RNA) where: Base-Base interactions energy: -24.155 where: short stacking energy: -24.155 Base-Backbone interact. energy: -0.224 local terms energy: -50.256769 where: bonds (distance) C4'-P energy: -15.384 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -10.201 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -2.129 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: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -219.207279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.207279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.207279 (E_RNA) where: Base-Base interactions energy: -142.053 where: short stacking energy: -65.016 Base-Backbone interact. energy: -1.086 local terms energy: -76.068951 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -11.355 tors. eta vs tors. theta energy: -20.416 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: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -218.634516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.634516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.634516 (E_RNA) where: Base-Base interactions energy: -152.391 where: short stacking energy: -68.021 Base-Backbone interact. energy: -0.015 local terms energy: -66.228360 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -10.607 tors. eta vs tors. theta energy: -17.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -223.186272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.186272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.186272 (E_RNA) where: Base-Base interactions energy: -152.455 where: short stacking energy: -69.660 Base-Backbone interact. energy: -0.006 local terms energy: -70.725857 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -15.073 flat angles P-C4'-P energy: -8.145 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: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -215.477110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.477110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.477110 (E_RNA) where: Base-Base interactions energy: -144.672 where: short stacking energy: -62.234 Base-Backbone interact. energy: -0.015 local terms energy: -70.789419 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -20.439 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: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -207.213865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.213865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.213865 (E_RNA) where: Base-Base interactions energy: -138.946 where: short stacking energy: -57.401 Base-Backbone interact. energy: -0.085 local terms energy: -68.182915 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -14.764 flat angles C4'-P-C4' energy: -12.991 flat angles P-C4'-P energy: -10.548 tors. eta vs tors. theta energy: -17.210 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: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -203.801058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.801058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.801058 (E_RNA) where: Base-Base interactions energy: -144.526 where: short stacking energy: -59.207 Base-Backbone interact. energy: -0.021 local terms energy: -59.254273 where: bonds (distance) C4'-P energy: -9.289 bonds (distance) P-C4' energy: -11.303 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -7.733 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: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -195.923527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.923527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.923527 (E_RNA) where: Base-Base interactions energy: -131.016 where: short stacking energy: -55.340 Base-Backbone interact. energy: -0.431 local terms energy: -64.476942 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -13.658 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: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -159.171613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.171613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.171613 (E_RNA) where: Base-Base interactions energy: -103.732 where: short stacking energy: -53.311 Base-Backbone interact. energy: -0.018 local terms energy: -55.422424 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -13.476 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -12.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -81.198897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.198897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.198897 (E_RNA) where: Base-Base interactions energy: -37.741 where: short stacking energy: -29.488 Base-Backbone interact. energy: -0.100 local terms energy: -43.357802 where: bonds (distance) C4'-P energy: -8.628 bonds (distance) P-C4' energy: -15.410 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -70.370138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.370138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.370138 (E_RNA) where: Base-Base interactions energy: -29.424 where: short stacking energy: -29.424 Base-Backbone interact. energy: -0.109 local terms energy: -40.836417 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: 2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -221.755316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.755316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.755316 (E_RNA) where: Base-Base interactions energy: -154.647 where: short stacking energy: -67.644 Base-Backbone interact. energy: -0.003 local terms energy: -67.105064 where: bonds (distance) C4'-P energy: -15.943 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -5.784 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: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -223.296713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.296713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.296713 (E_RNA) where: Base-Base interactions energy: -152.198 where: short stacking energy: -67.210 Base-Backbone interact. energy: -0.432 local terms energy: -70.665962 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -16.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -216.528421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.528421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.528421 (E_RNA) where: Base-Base interactions energy: -147.850 where: short stacking energy: -65.266 Base-Backbone interact. energy: -0.153 local terms energy: -68.524702 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -9.608 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: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -202.563198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.563198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.563198 (E_RNA) where: Base-Base interactions energy: -143.109 where: short stacking energy: -61.877 Base-Backbone interact. energy: -0.120 local terms energy: -59.334611 where: bonds (distance) C4'-P energy: -7.295 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -18.533 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: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -208.661979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.661979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.661979 (E_RNA) where: Base-Base interactions energy: -147.088 where: short stacking energy: -63.350 Base-Backbone interact. energy: -0.052 local terms energy: -61.521877 where: bonds (distance) C4'-P energy: -9.009 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -9.667 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: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -205.959175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.959175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.959175 (E_RNA) where: Base-Base interactions energy: -140.674 where: short stacking energy: -55.347 Base-Backbone interact. energy: -0.001 local terms energy: -65.283733 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -12.770 flat angles C4'-P-C4' energy: -15.636 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: -14.894 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: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -195.437193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.437193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.437193 (E_RNA) where: Base-Base interactions energy: -134.461 where: short stacking energy: -52.130 Base-Backbone interact. energy: -0.071 local terms energy: -60.905839 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.302 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -12.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -155.271202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.271202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.271202 (E_RNA) where: Base-Base interactions energy: -101.088 where: short stacking energy: -49.060 Base-Backbone interact. energy: -0.415 local terms energy: -53.768952 where: bonds (distance) C4'-P energy: -8.585 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -10.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -77.027826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.027826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.027826 (E_RNA) where: Base-Base interactions energy: -33.370 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.110 local terms energy: -43.547850 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -7.427 flat angles C4'-P-C4' energy: -11.926 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -75.823928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.823928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.823928 (E_RNA) where: Base-Base interactions energy: -26.746 where: short stacking energy: -26.746 Base-Backbone interact. energy: -0.160 local terms energy: -48.918209 where: bonds (distance) C4'-P energy: -12.338 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -219.396241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.396241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.396241 (E_RNA) where: Base-Base interactions energy: -150.928 where: short stacking energy: -64.431 Base-Backbone interact. energy: -0.079 local terms energy: -68.389752 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -224.268941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.268941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.268941 (E_RNA) where: Base-Base interactions energy: -148.824 where: short stacking energy: -67.140 Base-Backbone interact. energy: 0.237 local terms energy: -75.681459 where: bonds (distance) C4'-P energy: -14.706 bonds (distance) P-C4' energy: -15.631 flat angles C4'-P-C4' energy: -15.740 flat angles P-C4'-P energy: -9.909 tors. eta vs tors. theta energy: -19.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -216.903961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.903961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.903961 (E_RNA) where: Base-Base interactions energy: -144.717 where: short stacking energy: -65.037 Base-Backbone interact. energy: -0.052 local terms energy: -72.135024 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -12.431 flat angles P-C4'-P energy: -9.869 tors. eta vs tors. theta energy: -21.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -209.803867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.803867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.803867 (E_RNA) where: Base-Base interactions energy: -141.433 where: short stacking energy: -60.588 Base-Backbone interact. energy: -0.315 local terms energy: -68.055782 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -17.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -202.735525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.735525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.735525 (E_RNA) where: Base-Base interactions energy: -142.799 where: short stacking energy: -60.945 Base-Backbone interact. energy: -0.277 local terms energy: -59.659389 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -9.332 flat angles C4'-P-C4' energy: -15.366 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -13.532 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: 338 Temperature: 1.150000 Total energy: -202.681395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.681395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.681395 (E_RNA) where: Base-Base interactions energy: -144.850 where: short stacking energy: -61.877 Base-Backbone interact. energy: -0.002 local terms energy: -57.829072 where: bonds (distance) C4'-P energy: -10.653 bonds (distance) P-C4' energy: -7.989 flat angles C4'-P-C4' energy: -12.829 flat angles P-C4'-P energy: -7.603 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: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -165.386810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.386810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.386810 (E_RNA) where: Base-Base interactions energy: -103.530 where: short stacking energy: -50.869 Base-Backbone interact. energy: -0.059 local terms energy: -61.797340 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -15.039 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -12.272 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: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -194.934095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.934095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.934095 (E_RNA) where: Base-Base interactions energy: -138.084 where: short stacking energy: -54.662 Base-Backbone interact. energy: -0.010 local terms energy: -56.839988 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -10.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -80.824844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.824844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.824844 (E_RNA) where: Base-Base interactions energy: -32.326 where: short stacking energy: -30.867 Base-Backbone interact. energy: -0.010 local terms energy: -48.488184 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -10.372 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -70.518270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.518270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.518270 (E_RNA) where: Base-Base interactions energy: -23.195 where: short stacking energy: -23.195 Base-Backbone interact. energy: -0.188 local terms energy: -47.135328 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -217.594879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.594879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.594879 (E_RNA) where: Base-Base interactions energy: -141.468 where: short stacking energy: -61.925 Base-Backbone interact. energy: -0.165 local terms energy: -75.961676 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -16.061 flat angles P-C4'-P energy: -12.557 tors. eta vs tors. theta energy: -17.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -222.935783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.935783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.935783 (E_RNA) where: Base-Base interactions energy: -151.222 where: short stacking energy: -67.176 Base-Backbone interact. energy: 0.222 local terms energy: -71.935924 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -10.167 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: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -217.928801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.928801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.928801 (E_RNA) where: Base-Base interactions energy: -143.614 where: short stacking energy: -67.254 Base-Backbone interact. energy: -0.006 local terms energy: -74.309301 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -20.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -208.082292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.082292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.082292 (E_RNA) where: Base-Base interactions energy: -139.275 where: short stacking energy: -63.951 Base-Backbone interact. energy: -0.185 local terms energy: -68.622203 where: bonds (distance) C4'-P energy: -13.008 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -13.661 flat angles P-C4'-P energy: -10.737 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: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -204.529736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.529736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.529736 (E_RNA) where: Base-Base interactions energy: -143.719 where: short stacking energy: -67.056 Base-Backbone interact. energy: -0.001 local terms energy: -60.810158 where: bonds (distance) C4'-P energy: -11.806 bonds (distance) P-C4' energy: -8.388 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -20.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -169.527004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.527004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.527004 (E_RNA) where: Base-Base interactions energy: -104.047 where: short stacking energy: -46.784 Base-Backbone interact. energy: -0.147 local terms energy: -65.332764 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.859 flat angles P-C4'-P energy: -12.793 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: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -200.573827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.573827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.573827 (E_RNA) where: Base-Base interactions energy: -139.957 where: short stacking energy: -62.460 Base-Backbone interact. energy: -0.219 local terms energy: -60.397731 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -5.483 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: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -187.637358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.637358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.637358 (E_RNA) where: Base-Base interactions energy: -129.199 where: short stacking energy: -49.803 Base-Backbone interact. energy: -0.094 local terms energy: -58.343661 where: bonds (distance) C4'-P energy: -9.795 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -14.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -77.245600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.245600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.245600 (E_RNA) where: Base-Base interactions energy: -26.039 where: short stacking energy: -26.039 Base-Backbone interact. energy: -0.092 local terms energy: -51.114370 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -14.466 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -8.593 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -78.766344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.766344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.766344 (E_RNA) where: Base-Base interactions energy: -33.878 where: short stacking energy: -23.966 Base-Backbone interact. energy: -0.105 local terms energy: -44.783917 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -10.741 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: 1.596 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: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -227.016214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.016214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.016214 (E_RNA) where: Base-Base interactions energy: -153.153 where: short stacking energy: -72.110 Base-Backbone interact. energy: -0.003 local terms energy: -73.859903 where: bonds (distance) C4'-P energy: -15.394 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -11.229 tors. eta vs tors. theta energy: -19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -221.896728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.896728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.896728 (E_RNA) where: Base-Base interactions energy: -149.348 where: short stacking energy: -64.463 Base-Backbone interact. energy: -0.046 local terms energy: -72.503254 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -13.292 flat angles P-C4'-P energy: -12.078 tors. eta vs tors. theta energy: -18.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -211.626402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.626402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.626402 (E_RNA) where: Base-Base interactions energy: -150.248 where: short stacking energy: -55.220 Base-Backbone interact. energy: 0.006 local terms energy: -61.383582 where: bonds (distance) C4'-P energy: -10.280 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -15.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -208.057173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.057173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.057173 (E_RNA) where: Base-Base interactions energy: -141.595 where: short stacking energy: -56.578 Base-Backbone interact. energy: -0.171 local terms energy: -66.290374 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -8.515 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: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -197.239091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.239091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.239091 (E_RNA) where: Base-Base interactions energy: -133.725 where: short stacking energy: -62.282 Base-Backbone interact. energy: 0.682 local terms energy: -64.195864 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -14.373 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: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -160.488420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.488420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.488420 (E_RNA) where: Base-Base interactions energy: -102.217 where: short stacking energy: -52.115 Base-Backbone interact. energy: -0.092 local terms energy: -58.179647 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -8.379 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: 340 Temperature: 1.200000 Total energy: -198.918235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.918235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.918235 (E_RNA) where: Base-Base interactions energy: -140.026 where: short stacking energy: -53.647 Base-Backbone interact. energy: -0.092 local terms energy: -58.800483 where: bonds (distance) C4'-P energy: -12.182 bonds (distance) P-C4' energy: -11.047 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -15.984 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: 340 Temperature: 1.250000 Total energy: -196.318863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.318863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.318863 (E_RNA) where: Base-Base interactions energy: -136.259 where: short stacking energy: -64.406 Base-Backbone interact. energy: -0.649 local terms energy: -59.411098 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -15.224 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -16.229 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: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -118.936974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.936974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.936974 (E_RNA) where: Base-Base interactions energy: -61.963 where: short stacking energy: -36.931 Base-Backbone interact. energy: -0.053 local terms energy: -56.921244 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -6.733 tors. eta vs tors. theta energy: -11.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -111.346952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.346952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.346952 (E_RNA) where: Base-Base interactions energy: -60.852 where: short stacking energy: -27.894 Base-Backbone interact. energy: -0.197 local terms energy: -50.297950 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -9.930 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -220.631224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.631224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.631224 (E_RNA) where: Base-Base interactions energy: -147.101 where: short stacking energy: -67.506 Base-Backbone interact. energy: -0.008 local terms energy: -73.522771 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -16.120 flat angles C4'-P-C4' energy: -15.470 flat angles P-C4'-P energy: -9.340 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: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -212.120771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.120771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.120771 (E_RNA) where: Base-Base interactions energy: -140.746 where: short stacking energy: -61.590 Base-Backbone interact. energy: -0.018 local terms energy: -71.357050 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -8.389 tors. eta vs tors. theta energy: -18.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -218.261527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.261527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.261527 (E_RNA) where: Base-Base interactions energy: -150.573 where: short stacking energy: -66.543 Base-Backbone interact. energy: -0.200 local terms energy: -67.489281 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -19.525 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: 341 Temperature: 1.050000 Total energy: -204.549249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.549249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.549249 (E_RNA) where: Base-Base interactions energy: -141.555 where: short stacking energy: -60.457 Base-Backbone interact. energy: -0.004 local terms energy: -62.990438 where: bonds (distance) C4'-P energy: -10.023 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -11.972 tors. eta vs tors. theta energy: -14.397 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: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -206.052802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.052802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.052802 (E_RNA) where: Base-Base interactions energy: -137.461 where: short stacking energy: -64.314 Base-Backbone interact. energy: -0.593 local terms energy: -67.998741 where: bonds (distance) C4'-P energy: -9.220 bonds (distance) P-C4' energy: -14.662 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -10.212 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: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -213.124250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.124250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.124250 (E_RNA) where: Base-Base interactions energy: -151.164 where: short stacking energy: -67.735 Base-Backbone interact. energy: -0.723 local terms energy: -61.237470 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -18.799 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: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -194.844129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.844129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.844129 (E_RNA) where: Base-Base interactions energy: -133.962 where: short stacking energy: -53.280 Base-Backbone interact. energy: 0.488 local terms energy: -61.370751 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -11.695 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: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -117.001867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.001867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.001867 (E_RNA) where: Base-Base interactions energy: -67.273 where: short stacking energy: -37.004 Base-Backbone interact. energy: -0.397 local terms energy: -49.332149 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -193.460928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.460928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.460928 (E_RNA) where: Base-Base interactions energy: -131.079 where: short stacking energy: -55.908 Base-Backbone interact. energy: -0.002 local terms energy: -62.379369 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -18.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -66.859172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.859172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.859172 (E_RNA) where: Base-Base interactions energy: -23.909 where: short stacking energy: -21.764 Base-Backbone interact. energy: -0.149 local terms energy: -42.800627 where: bonds (distance) C4'-P energy: -10.635 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: 1.622 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: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -221.209410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.209410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.209410 (E_RNA) where: Base-Base interactions energy: -150.341 where: short stacking energy: -71.599 Base-Backbone interact. energy: -0.671 local terms energy: -70.197694 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -9.614 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: 2, replica: 10 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -215.123936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.123936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.123936 (E_RNA) where: Base-Base interactions energy: -147.890 where: short stacking energy: -63.819 Base-Backbone interact. energy: -0.009 local terms energy: -67.224696 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -12.586 tors. eta vs tors. theta energy: -18.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -211.260382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.260382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.260382 (E_RNA) where: Base-Base interactions energy: -143.670 where: short stacking energy: -62.632 Base-Backbone interact. energy: -0.613 local terms energy: -66.977629 where: bonds (distance) C4'-P energy: -9.766 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -11.970 tors. eta vs tors. theta energy: -16.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -214.116152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.116152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.116152 (E_RNA) where: Base-Base interactions energy: -143.609 where: short stacking energy: -60.899 Base-Backbone interact. energy: -0.003 local terms energy: -70.503719 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -11.571 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -208.224701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.224701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.224701 (E_RNA) where: Base-Base interactions energy: -143.909 where: short stacking energy: -58.736 Base-Backbone interact. energy: -0.111 local terms energy: -64.204656 where: bonds (distance) C4'-P energy: -9.811 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -16.294 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -15.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -207.613180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.613180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.613180 (E_RNA) where: Base-Base interactions energy: -139.542 where: short stacking energy: -66.240 Base-Backbone interact. energy: -0.287 local terms energy: -67.784488 where: bonds (distance) C4'-P energy: -11.294 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -9.394 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: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -124.386966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.386966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.386966 (E_RNA) where: Base-Base interactions energy: -72.143 where: short stacking energy: -37.515 Base-Backbone interact. energy: -0.146 local terms energy: -52.098757 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -10.673 flat angles C4'-P-C4' energy: -11.297 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -9.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -197.149374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.149374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.149374 (E_RNA) where: Base-Base interactions energy: -136.838 where: short stacking energy: -59.101 Base-Backbone interact. energy: -0.135 local terms energy: -60.176189 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -8.653 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: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -192.484398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.484398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.484398 (E_RNA) where: Base-Base interactions energy: -131.695 where: short stacking energy: -52.552 Base-Backbone interact. energy: -0.125 local terms energy: -60.664640 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -12.359 flat angles C4'-P-C4' energy: -13.424 flat angles P-C4'-P energy: -7.912 tors. eta vs tors. theta energy: -11.905 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: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -78.064927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.064927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.064927 (E_RNA) where: Base-Base interactions energy: -36.152 where: short stacking energy: -36.152 Base-Backbone interact. energy: 0.108 local terms energy: -42.021183 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -11.953 flat angles C4'-P-C4' energy: -11.805 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -6.145 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: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -226.602180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.602180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.602180 (E_RNA) where: Base-Base interactions energy: -152.205 where: short stacking energy: -67.641 Base-Backbone interact. energy: -0.691 local terms energy: -73.706030 where: bonds (distance) C4'-P energy: -15.224 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -9.619 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: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -215.172994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.172994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.172994 (E_RNA) where: Base-Base interactions energy: -148.929 where: short stacking energy: -62.340 Base-Backbone interact. energy: -0.013 local terms energy: -66.230885 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -18.610 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: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -220.196412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.196412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.196412 (E_RNA) where: Base-Base interactions energy: -147.223 where: short stacking energy: -67.458 Base-Backbone interact. energy: -0.016 local terms energy: -72.957444 where: bonds (distance) C4'-P energy: -15.981 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -13.811 flat angles P-C4'-P energy: -11.601 tors. eta vs tors. theta energy: -19.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -212.243299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.243299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.243299 (E_RNA) where: Base-Base interactions energy: -141.196 where: short stacking energy: -60.074 Base-Backbone interact. energy: -0.548 local terms energy: -70.499188 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -16.937 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -18.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -210.401629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.401629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.401629 (E_RNA) where: Base-Base interactions energy: -151.505 where: short stacking energy: -63.188 Base-Backbone interact. energy: -0.678 local terms energy: -58.219284 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -14.105 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: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -201.889336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.889336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.889336 (E_RNA) where: Base-Base interactions energy: -136.264 where: short stacking energy: -56.132 Base-Backbone interact. energy: -0.684 local terms energy: -64.941094 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -14.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -138.455148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.455148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.455148 (E_RNA) where: Base-Base interactions energy: -84.534 where: short stacking energy: -37.555 Base-Backbone interact. energy: -0.156 local terms energy: -53.764987 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -13.879 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -199.046187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.046187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.046187 (E_RNA) where: Base-Base interactions energy: -136.840 where: short stacking energy: -57.992 Base-Backbone interact. energy: -0.002 local terms energy: -62.204253 where: bonds (distance) C4'-P energy: -11.021 bonds (distance) P-C4' energy: -10.561 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -14.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -113.813038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.813038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.813038 (E_RNA) where: Base-Base interactions energy: -70.321 where: short stacking energy: -32.909 Base-Backbone interact. energy: -0.449 local terms energy: -43.042905 where: bonds (distance) C4'-P energy: -9.357 bonds (distance) P-C4' energy: -13.896 flat angles C4'-P-C4' energy: -12.228 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -68.419488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.419488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.419488 (E_RNA) where: Base-Base interactions energy: -23.602 where: short stacking energy: -23.602 Base-Backbone interact. energy: 0.832 local terms energy: -45.649193 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -12.406 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -6.681 tors. eta vs tors. theta energy: -1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -224.016565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.016565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.016565 (E_RNA) where: Base-Base interactions energy: -149.352 where: short stacking energy: -63.923 Base-Backbone interact. energy: -0.869 local terms energy: -73.795617 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -11.996 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: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -218.794855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.794855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.794855 (E_RNA) where: Base-Base interactions energy: -147.598 where: short stacking energy: -66.536 Base-Backbone interact. energy: -0.074 local terms energy: -71.122766 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -9.780 flat angles C4'-P-C4' energy: -17.221 flat angles P-C4'-P energy: -11.686 tors. eta vs tors. theta energy: -19.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -214.214027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.214027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.214027 (E_RNA) where: Base-Base interactions energy: -141.511 where: short stacking energy: -67.607 Base-Backbone interact. energy: -0.910 local terms energy: -71.793091 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -9.291 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: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -205.931089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.931089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.931089 (E_RNA) where: Base-Base interactions energy: -140.426 where: short stacking energy: -57.869 Base-Backbone interact. energy: -0.958 local terms energy: -64.547288 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -15.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -210.742039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.742039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.742039 (E_RNA) where: Base-Base interactions energy: -143.063 where: short stacking energy: -62.821 Base-Backbone interact. energy: -0.047 local terms energy: -67.632039 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -20.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -200.050505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.050505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.050505 (E_RNA) where: Base-Base interactions energy: -137.685 where: short stacking energy: -57.829 Base-Backbone interact. energy: -0.740 local terms energy: -61.625179 where: bonds (distance) C4'-P energy: -9.439 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -17.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -206.817528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.817528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.817528 (E_RNA) where: Base-Base interactions energy: -141.181 where: short stacking energy: -61.030 Base-Backbone interact. energy: 1.021 local terms energy: -66.657749 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -12.487 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -11.521 tors. eta vs tors. theta energy: -16.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -112.952083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.952083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.952083 (E_RNA) where: Base-Base interactions energy: -59.749 where: short stacking energy: -31.179 Base-Backbone interact. energy: -0.121 local terms energy: -53.082564 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -74.603337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.603337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.603337 (E_RNA) where: Base-Base interactions energy: -30.736 where: short stacking energy: -19.737 Base-Backbone interact. energy: 0.159 local terms energy: -44.025858 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -12.819 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -10.906 tors. eta vs tors. theta energy: 0.753 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: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -73.955790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.955790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.955790 (E_RNA) where: Base-Base interactions energy: -24.975 where: short stacking energy: -18.831 Base-Backbone interact. energy: -0.193 local terms energy: -48.787890 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -10.007 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: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -224.354632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.354632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.354632 (E_RNA) where: Base-Base interactions energy: -147.773 where: short stacking energy: -63.191 Base-Backbone interact. energy: 0.072 local terms energy: -76.654048 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -12.190 tors. eta vs tors. theta energy: -20.408 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: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -217.357577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.357577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.357577 (E_RNA) where: Base-Base interactions energy: -149.593 where: short stacking energy: -60.063 Base-Backbone interact. energy: -0.415 local terms energy: -67.348963 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -15.177 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -12.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -215.443460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.443460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.443460 (E_RNA) where: Base-Base interactions energy: -142.831 where: short stacking energy: -69.491 Base-Backbone interact. energy: -0.028 local terms energy: -72.584401 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -13.017 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: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -209.945023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.945023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.945023 (E_RNA) where: Base-Base interactions energy: -141.510 where: short stacking energy: -58.778 Base-Backbone interact. energy: -0.004 local terms energy: -68.430763 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -11.181 flat angles P-C4'-P energy: -11.072 tors. eta vs tors. theta energy: -18.824 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: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -207.943649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.943649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.943649 (E_RNA) where: Base-Base interactions energy: -139.548 where: short stacking energy: -58.104 Base-Backbone interact. energy: -0.207 local terms energy: -68.187940 where: bonds (distance) C4'-P energy: -13.940 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -10.555 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: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -187.773867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.773867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.773867 (E_RNA) where: Base-Base interactions energy: -131.945 where: short stacking energy: -48.085 Base-Backbone interact. energy: -0.117 local terms energy: -55.712129 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -12.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -199.313979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.313979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.313979 (E_RNA) where: Base-Base interactions energy: -132.794 where: short stacking energy: -59.108 Base-Backbone interact. energy: -0.386 local terms energy: -66.134073 where: bonds (distance) C4'-P energy: -9.626 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -18.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -110.769132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.769132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.769132 (E_RNA) where: Base-Base interactions energy: -66.236 where: short stacking energy: -33.985 Base-Backbone interact. energy: -0.221 local terms energy: -44.312702 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -12.805 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -6.269 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: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -89.229179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.229179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.229179 (E_RNA) where: Base-Base interactions energy: -40.347 where: short stacking energy: -34.008 Base-Backbone interact. energy: -0.620 local terms energy: -48.262063 where: bonds (distance) C4'-P energy: -13.319 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -10.063 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -9.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -68.617999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.617999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.617999 (E_RNA) where: Base-Base interactions energy: -22.907 where: short stacking energy: -20.326 Base-Backbone interact. energy: -0.214 local terms energy: -45.496174 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -13.442 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: 0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -224.228611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.228611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.228611 (E_RNA) where: Base-Base interactions energy: -156.436 where: short stacking energy: -72.127 Base-Backbone interact. energy: -0.028 local terms energy: -67.764612 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -11.618 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -10.931 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: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -222.566551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.566551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.566551 (E_RNA) where: Base-Base interactions energy: -152.327 where: short stacking energy: -73.140 Base-Backbone interact. energy: -0.029 local terms energy: -70.210282 where: bonds (distance) C4'-P energy: -14.589 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -14.543 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -20.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -216.399961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.399961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.399961 (E_RNA) where: Base-Base interactions energy: -147.152 where: short stacking energy: -64.134 Base-Backbone interact. energy: -0.289 local terms energy: -68.959454 where: bonds (distance) C4'-P energy: -15.889 bonds (distance) P-C4' energy: -10.239 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -17.136 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: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -205.834408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.834408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.834408 (E_RNA) where: Base-Base interactions energy: -145.552 where: short stacking energy: -62.503 Base-Backbone interact. energy: -0.027 local terms energy: -60.254907 where: bonds (distance) C4'-P energy: -9.310 bonds (distance) P-C4' energy: -12.497 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -9.219 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: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -207.572532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.572532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.572532 (E_RNA) where: Base-Base interactions energy: -140.854 where: short stacking energy: -59.867 Base-Backbone interact. energy: -0.022 local terms energy: -66.696269 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -8.616 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: 6, replica: 10 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -191.341669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.341669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.341669 (E_RNA) where: Base-Base interactions energy: -131.208 where: short stacking energy: -51.268 Base-Backbone interact. energy: -0.113 local terms energy: -60.020260 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -16.916 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -11.540 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: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -205.645772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.645772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.645772 (E_RNA) where: Base-Base interactions energy: -145.394 where: short stacking energy: -65.555 Base-Backbone interact. energy: -0.075 local terms energy: -60.175960 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -14.918 flat angles C4'-P-C4' energy: -11.967 flat angles P-C4'-P energy: -6.095 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: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -84.616594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.616594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.616594 (E_RNA) where: Base-Base interactions energy: -36.786 where: short stacking energy: -31.118 Base-Backbone interact. energy: -0.098 local terms energy: -47.732649 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -9.783 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -1.656 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: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -74.028718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.028718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.028718 (E_RNA) where: Base-Base interactions energy: -29.665 where: short stacking energy: -21.811 Base-Backbone interact. energy: -0.257 local terms energy: -44.106332 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -10.191 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -8.631 tors. eta vs tors. theta energy: 0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -76.311259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.311259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.311259 (E_RNA) where: Base-Base interactions energy: -26.965 where: short stacking energy: -26.965 Base-Backbone interact. energy: -0.053 local terms energy: -49.292720 where: bonds (distance) C4'-P energy: -12.345 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -13.330 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: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -222.750211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.750211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.750211 (E_RNA) where: Base-Base interactions energy: -151.761 where: short stacking energy: -69.444 Base-Backbone interact. energy: -0.003 local terms energy: -70.986865 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -9.301 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: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -218.646284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.646284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.646284 (E_RNA) where: Base-Base interactions energy: -145.619 where: short stacking energy: -67.251 Base-Backbone interact. energy: -0.019 local terms energy: -73.008318 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -15.560 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -19.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -212.052827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.052827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.052827 (E_RNA) where: Base-Base interactions energy: -144.212 where: short stacking energy: -63.382 Base-Backbone interact. energy: -0.297 local terms energy: -67.544476 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -18.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -208.437744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.437744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.437744 (E_RNA) where: Base-Base interactions energy: -140.734 where: short stacking energy: -63.744 Base-Backbone interact. energy: 1.689 local terms energy: -69.392443 where: bonds (distance) C4'-P energy: -15.253 bonds (distance) P-C4' energy: -10.554 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -17.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -198.317071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.317071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.317071 (E_RNA) where: Base-Base interactions energy: -132.232 where: short stacking energy: -57.662 Base-Backbone interact. energy: -0.016 local terms energy: -66.069037 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -14.855 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -16.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -199.288598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.288598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.288598 (E_RNA) where: Base-Base interactions energy: -139.405 where: short stacking energy: -59.501 Base-Backbone interact. energy: -0.123 local terms energy: -59.760623 where: bonds (distance) C4'-P energy: -13.204 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -15.083 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -11.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -186.035533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.035533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.035533 (E_RNA) where: Base-Base interactions energy: -129.672 where: short stacking energy: -51.303 Base-Backbone interact. energy: -0.238 local terms energy: -56.125159 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -10.298 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -15.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -79.917386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.917386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.917386 (E_RNA) where: Base-Base interactions energy: -29.676 where: short stacking energy: -25.764 Base-Backbone interact. energy: -0.111 local terms energy: -50.130598 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: 0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -75.773738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.773738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.773738 (E_RNA) where: Base-Base interactions energy: -26.844 where: short stacking energy: -23.428 Base-Backbone interact. energy: -0.085 local terms energy: -48.844896 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -8.973 tors. eta vs tors. theta energy: -1.781 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: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -69.447783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.447783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.447783 (E_RNA) where: Base-Base interactions energy: -25.488 where: short stacking energy: -25.488 Base-Backbone interact. energy: -0.094 local terms energy: -43.866197 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -10.791 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: 0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -223.293176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.293176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.293176 (E_RNA) where: Base-Base interactions energy: -146.963 where: short stacking energy: -67.496 Base-Backbone interact. energy: -0.085 local terms energy: -76.244892 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -16.086 flat angles C4'-P-C4' energy: -15.030 flat angles P-C4'-P energy: -10.913 tors. eta vs tors. theta energy: -19.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -214.979306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.979306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.979306 (E_RNA) where: Base-Base interactions energy: -141.758 where: short stacking energy: -62.723 Base-Backbone interact. energy: -0.088 local terms energy: -73.133948 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -12.670 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -20.178 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: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -217.075465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.075465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.075465 (E_RNA) where: Base-Base interactions energy: -149.083 where: short stacking energy: -63.202 Base-Backbone interact. energy: -0.077 local terms energy: -67.915571 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -8.464 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: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -211.027716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.027716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.027716 (E_RNA) where: Base-Base interactions energy: -140.573 where: short stacking energy: -58.134 Base-Backbone interact. energy: -0.416 local terms energy: -70.038021 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -15.243 flat angles C4'-P-C4' energy: -16.159 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -14.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -200.587393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.587393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.587393 (E_RNA) where: Base-Base interactions energy: -138.606 where: short stacking energy: -60.410 Base-Backbone interact. energy: -0.004 local terms energy: -61.976668 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -11.925 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -9.312 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: 6, replica: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -206.565002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.565002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.565002 (E_RNA) where: Base-Base interactions energy: -139.507 where: short stacking energy: -62.002 Base-Backbone interact. energy: -0.058 local terms energy: -66.999905 where: bonds (distance) C4'-P energy: -11.162 bonds (distance) P-C4' energy: -10.114 flat angles C4'-P-C4' energy: -15.876 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -21.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -196.341593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.341593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.341593 (E_RNA) where: Base-Base interactions energy: -132.779 where: short stacking energy: -51.968 Base-Backbone interact. energy: -0.189 local terms energy: -63.373639 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: -11.754 tors. eta vs tors. theta energy: -13.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -82.391931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.391931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.391931 (E_RNA) where: Base-Base interactions energy: -31.949 where: short stacking energy: -27.776 Base-Backbone interact. energy: -0.129 local terms energy: -50.314003 where: bonds (distance) C4'-P energy: -9.791 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -14.118 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -5.117 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: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -82.393524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.393524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.393524 (E_RNA) where: Base-Base interactions energy: -38.015 where: short stacking energy: -22.466 Base-Backbone interact. energy: -0.211 local terms energy: -44.167258 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: 0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -75.946568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.946568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.946568 (E_RNA) where: Base-Base interactions energy: -23.025 where: short stacking energy: -23.520 Base-Backbone interact. energy: -0.797 local terms energy: -52.124779 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -15.996 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -11.578 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -226.022410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.022410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.022410 (E_RNA) where: Base-Base interactions energy: -147.606 where: short stacking energy: -62.797 Base-Backbone interact. energy: -0.862 local terms energy: -77.554117 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -13.876 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: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -214.816311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.816311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.816311 (E_RNA) where: Base-Base interactions energy: -145.575 where: short stacking energy: -63.160 Base-Backbone interact. energy: -0.065 local terms energy: -69.175978 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -12.251 flat angles C4'-P-C4' energy: -15.937 flat angles P-C4'-P energy: -9.228 tors. eta vs tors. theta energy: -17.883 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: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -213.463555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.463555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.463555 (E_RNA) where: Base-Base interactions energy: -143.244 where: short stacking energy: -62.317 Base-Backbone interact. energy: -0.215 local terms energy: -70.005303 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -10.690 flat angles C4'-P-C4' energy: -14.719 flat angles P-C4'-P energy: -10.571 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: 4, replica: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -207.769911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.769911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.769911 (E_RNA) where: Base-Base interactions energy: -142.757 where: short stacking energy: -58.771 Base-Backbone interact. energy: -0.046 local terms energy: -64.967208 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -5.575 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: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -203.527160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.527160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.527160 (E_RNA) where: Base-Base interactions energy: -136.841 where: short stacking energy: -65.506 Base-Backbone interact. energy: -0.035 local terms energy: -66.650772 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -12.173 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -19.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -200.895546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.895546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.895546 (E_RNA) where: Base-Base interactions energy: -136.876 where: short stacking energy: -54.351 Base-Backbone interact. energy: -0.605 local terms energy: -63.414775 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -12.861 flat angles P-C4'-P energy: -9.844 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: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -194.872865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.872865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.872865 (E_RNA) where: Base-Base interactions energy: -127.452 where: short stacking energy: -53.665 Base-Backbone interact. energy: 0.169 local terms energy: -67.589898 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -15.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -93.423274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.423274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.423274 (E_RNA) where: Base-Base interactions energy: -45.899 where: short stacking energy: -22.722 Base-Backbone interact. energy: -0.660 local terms energy: -46.864347 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -1.985 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: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -107.369757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.369757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.369757 (E_RNA) where: Base-Base interactions energy: -50.484 where: short stacking energy: -31.665 Base-Backbone interact. energy: -0.000 local terms energy: -56.884956 where: bonds (distance) C4'-P energy: -15.919 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -12.360 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -4.544 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: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -77.566768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.566768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.566768 (E_RNA) where: Base-Base interactions energy: -25.871 where: short stacking energy: -25.871 Base-Backbone interact. energy: -0.236 local terms energy: -51.460529 where: bonds (distance) C4'-P energy: -10.698 bonds (distance) P-C4' energy: -14.929 flat angles C4'-P-C4' energy: -9.026 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -7.411 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: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -221.279470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.279470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.279470 (E_RNA) where: Base-Base interactions energy: -151.400 where: short stacking energy: -71.018 Base-Backbone interact. energy: -0.468 local terms energy: -69.412069 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -14.564 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -10.360 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: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -218.862278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.862278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.862278 (E_RNA) where: Base-Base interactions energy: -147.249 where: short stacking energy: -63.074 Base-Backbone interact. energy: -0.023 local terms energy: -71.590005 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -11.152 flat angles P-C4'-P energy: -11.589 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: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -221.613953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.613953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.613953 (E_RNA) where: Base-Base interactions energy: -151.304 where: short stacking energy: -67.891 Base-Backbone interact. energy: -0.004 local terms energy: -70.306679 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -11.037 tors. eta vs tors. theta energy: -17.839 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: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -212.042812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.042812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.042812 (E_RNA) where: Base-Base interactions energy: -148.172 where: short stacking energy: -66.397 Base-Backbone interact. energy: -0.041 local terms energy: -63.829907 where: bonds (distance) C4'-P energy: -15.253 bonds (distance) P-C4' energy: -11.295 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -3.856 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: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -212.832799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.832799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.832799 (E_RNA) where: Base-Base interactions energy: -144.534 where: short stacking energy: -66.438 Base-Backbone interact. energy: -0.003 local terms energy: -68.295193 where: bonds (distance) C4'-P energy: -8.910 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -11.430 tors. eta vs tors. theta energy: -19.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -199.905462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.905462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.905462 (E_RNA) where: Base-Base interactions energy: -136.027 where: short stacking energy: -58.444 Base-Backbone interact. energy: -0.844 local terms energy: -63.034950 where: bonds (distance) C4'-P energy: -8.686 bonds (distance) P-C4' energy: -11.244 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -11.289 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: 7, replica: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -191.143982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.143982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.143982 (E_RNA) where: Base-Base interactions energy: -132.583 where: short stacking energy: -59.316 Base-Backbone interact. energy: -0.001 local terms energy: -58.559896 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -15.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -149.377785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.377785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.377785 (E_RNA) where: Base-Base interactions energy: -97.927 where: short stacking energy: -47.145 Base-Backbone interact. energy: -0.840 local terms energy: -50.610796 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -11.879 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: -9.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -79.928448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.928448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.928448 (E_RNA) where: Base-Base interactions energy: -31.193 where: short stacking energy: -31.193 Base-Backbone interact. energy: -0.075 local terms energy: -48.661114 where: bonds (distance) C4'-P energy: -5.424 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -14.786 flat angles P-C4'-P energy: -10.394 tors. eta vs tors. theta energy: -3.835 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: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -72.912558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.912558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.912558 (E_RNA) where: Base-Base interactions energy: -25.264 where: short stacking energy: -19.826 Base-Backbone interact. energy: -0.122 local terms energy: -47.527068 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -10.194 flat angles C4'-P-C4' energy: -9.653 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -221.827248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.827248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.827248 (E_RNA) where: Base-Base interactions energy: -150.424 where: short stacking energy: -69.814 Base-Backbone interact. energy: -0.026 local terms energy: -71.376660 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -13.527 flat angles C4'-P-C4' energy: -15.583 flat angles P-C4'-P energy: -9.260 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: 2, replica: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -213.056255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.056255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.056255 (E_RNA) where: Base-Base interactions energy: -144.693 where: short stacking energy: -61.221 Base-Backbone interact. energy: -0.111 local terms energy: -68.252177 where: bonds (distance) C4'-P energy: -12.450 bonds (distance) P-C4' energy: -14.819 flat angles C4'-P-C4' energy: -16.998 flat angles P-C4'-P energy: -7.504 tors. eta vs tors. theta energy: -16.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -220.226412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.226412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.226412 (E_RNA) where: Base-Base interactions energy: -150.389 where: short stacking energy: -67.336 Base-Backbone interact. energy: 0.330 local terms energy: -70.167742 where: bonds (distance) C4'-P energy: -15.447 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -19.169 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: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -214.679935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.679935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.679935 (E_RNA) where: Base-Base interactions energy: -143.675 where: short stacking energy: -64.539 Base-Backbone interact. energy: -0.285 local terms energy: -70.719939 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -11.186 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: 5, replica: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -196.643289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.643289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.643289 (E_RNA) where: Base-Base interactions energy: -133.168 where: short stacking energy: -55.965 Base-Backbone interact. energy: -0.024 local terms energy: -63.450648 where: bonds (distance) C4'-P energy: -8.343 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -16.464 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: 6, replica: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -189.976238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.976238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.976238 (E_RNA) where: Base-Base interactions energy: -125.753 where: short stacking energy: -46.436 Base-Backbone interact. energy: -0.605 local terms energy: -63.618108 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -13.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -185.645147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.645147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.645147 (E_RNA) where: Base-Base interactions energy: -131.713 where: short stacking energy: -46.111 Base-Backbone interact. energy: -0.248 local terms energy: -53.683559 where: bonds (distance) C4'-P energy: -9.527 bonds (distance) P-C4' energy: -11.814 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -9.564 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: 351 Temperature: 1.250000 Total energy: -186.685991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.685991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.685991 (E_RNA) where: Base-Base interactions energy: -131.806 where: short stacking energy: -54.149 Base-Backbone interact. energy: -0.039 local terms energy: -54.840668 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -10.488 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -14.042 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: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -72.430857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.430857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.430857 (E_RNA) where: Base-Base interactions energy: -30.080 where: short stacking energy: -26.552 Base-Backbone interact. energy: -0.002 local terms energy: -42.349078 where: bonds (distance) C4'-P energy: -8.221 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: 0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -90.318034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.318034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.318034 (E_RNA) where: Base-Base interactions energy: -54.002 where: short stacking energy: -31.172 Base-Backbone interact. energy: -0.077 local terms energy: -36.238509 where: bonds (distance) C4'-P energy: -12.155 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -2.426 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -2.332 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: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -222.142584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.142584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.142584 (E_RNA) where: Base-Base interactions energy: -147.484 where: short stacking energy: -63.841 Base-Backbone interact. energy: -0.705 local terms energy: -73.954288 where: bonds (distance) C4'-P energy: -15.786 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -9.857 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: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -221.538350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.538350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.538350 (E_RNA) where: Base-Base interactions energy: -155.732 where: short stacking energy: -70.505 Base-Backbone interact. energy: -0.013 local terms energy: -65.793338 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -12.087 tors. eta vs tors. theta energy: -18.226 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: 352 Temperature: 1.000000 Total energy: -214.549815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.549815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.549815 (E_RNA) where: Base-Base interactions energy: -145.492 where: short stacking energy: -65.905 Base-Backbone interact. energy: -0.002 local terms energy: -69.055332 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -14.510 flat angles P-C4'-P energy: -8.578 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: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -205.788163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.788163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.788163 (E_RNA) where: Base-Base interactions energy: -146.365 where: short stacking energy: -63.876 Base-Backbone interact. energy: -0.611 local terms energy: -58.811982 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -12.262 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -13.944 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: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -207.741871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.741871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.741871 (E_RNA) where: Base-Base interactions energy: -145.759 where: short stacking energy: -56.490 Base-Backbone interact. energy: -0.023 local terms energy: -61.960042 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -13.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -203.950174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.950174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.950174 (E_RNA) where: Base-Base interactions energy: -136.586 where: short stacking energy: -58.019 Base-Backbone interact. energy: -0.099 local terms energy: -67.265479 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -10.878 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -15.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -202.436104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.436104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.436104 (E_RNA) where: Base-Base interactions energy: -139.555 where: short stacking energy: -59.144 Base-Backbone interact. energy: -0.187 local terms energy: -62.693660 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -9.986 flat angles P-C4'-P energy: -11.337 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: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -194.712359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.712359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.712359 (E_RNA) where: Base-Base interactions energy: -138.118 where: short stacking energy: -60.212 Base-Backbone interact. energy: -0.107 local terms energy: -56.487244 where: bonds (distance) C4'-P energy: -8.550 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -16.068 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -11.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -72.030799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.030799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.030799 (E_RNA) where: Base-Base interactions energy: -28.903 where: short stacking energy: -28.903 Base-Backbone interact. energy: -0.123 local terms energy: -43.004367 where: bonds (distance) C4'-P energy: -0.501 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -13.806 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -7.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -67.058532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.058532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.058532 (E_RNA) where: Base-Base interactions energy: -19.990 where: short stacking energy: -20.590 Base-Backbone interact. energy: -0.127 local terms energy: -46.941487 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -9.058 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -220.326262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.326262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.326262 (E_RNA) where: Base-Base interactions energy: -149.169 where: short stacking energy: -62.405 Base-Backbone interact. energy: -0.035 local terms energy: -71.122253 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -12.035 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: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -221.072724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.072724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.072724 (E_RNA) where: Base-Base interactions energy: -149.715 where: short stacking energy: -66.282 Base-Backbone interact. energy: -0.037 local terms energy: -71.320784 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -11.246 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: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -213.473519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.473519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.473519 (E_RNA) where: Base-Base interactions energy: -141.365 where: short stacking energy: -61.777 Base-Backbone interact. energy: -0.157 local terms energy: -71.951120 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -9.680 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: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -205.747712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.747712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.747712 (E_RNA) where: Base-Base interactions energy: -138.234 where: short stacking energy: -63.696 Base-Backbone interact. energy: -0.005 local terms energy: -67.508262 where: bonds (distance) C4'-P energy: -12.028 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -9.018 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: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -203.146545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.146545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.146545 (E_RNA) where: Base-Base interactions energy: -140.849 where: short stacking energy: -55.598 Base-Backbone interact. energy: -0.166 local terms energy: -62.131251 where: bonds (distance) C4'-P energy: -9.924 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -10.406 flat angles P-C4'-P energy: -12.203 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: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -204.636853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.636853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.636853 (E_RNA) where: Base-Base interactions energy: -138.887 where: short stacking energy: -62.400 Base-Backbone interact. energy: -0.094 local terms energy: -65.656200 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -16.635 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: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -195.190147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.190147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.190147 (E_RNA) where: Base-Base interactions energy: -136.202 where: short stacking energy: -56.446 Base-Backbone interact. energy: -0.123 local terms energy: -58.864966 where: bonds (distance) C4'-P energy: -11.002 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -11.919 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: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -191.909202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.909202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.909202 (E_RNA) where: Base-Base interactions energy: -129.322 where: short stacking energy: -49.458 Base-Backbone interact. energy: 0.644 local terms energy: -63.231156 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -10.369 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -13.438 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: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -73.158911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.158911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.158911 (E_RNA) where: Base-Base interactions energy: -17.403 where: short stacking energy: -17.403 Base-Backbone interact. energy: -0.097 local terms energy: -55.658552 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -3.963 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: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -86.652881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.652881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.652881 (E_RNA) where: Base-Base interactions energy: -48.541 where: short stacking energy: -27.477 Base-Backbone interact. energy: -0.321 local terms energy: -37.790517 where: bonds (distance) C4'-P energy: -9.943 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -219.442237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.442237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.442237 (E_RNA) where: Base-Base interactions energy: -151.446 where: short stacking energy: -61.202 Base-Backbone interact. energy: -0.025 local terms energy: -67.970653 where: bonds (distance) C4'-P energy: -14.204 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -12.179 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -18.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -211.612521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.612521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.612521 (E_RNA) where: Base-Base interactions energy: -144.625 where: short stacking energy: -63.899 Base-Backbone interact. energy: -2.153 local terms energy: -64.833921 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -10.447 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: 3, replica: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -194.588103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.588103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.588103 (E_RNA) where: Base-Base interactions energy: -140.818 where: short stacking energy: -52.731 Base-Backbone interact. energy: -0.085 local terms energy: -53.684137 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -9.900 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -10.623 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: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -217.746415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.746415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.746415 (E_RNA) where: Base-Base interactions energy: -144.253 where: short stacking energy: -64.651 Base-Backbone interact. energy: -1.156 local terms energy: -72.337653 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -16.007 flat angles P-C4'-P energy: -11.957 tors. eta vs tors. theta energy: -19.168 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: 354 Temperature: 1.100000 Total energy: -209.693848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.693848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.693848 (E_RNA) where: Base-Base interactions energy: -142.064 where: short stacking energy: -62.225 Base-Backbone interact. energy: -0.099 local terms energy: -67.530766 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -8.069 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: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -207.930595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.930595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.930595 (E_RNA) where: Base-Base interactions energy: -138.678 where: short stacking energy: -58.775 Base-Backbone interact. energy: -0.177 local terms energy: -69.075841 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -9.107 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: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -198.281346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.281346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.281346 (E_RNA) where: Base-Base interactions energy: -141.573 where: short stacking energy: -59.181 Base-Backbone interact. energy: -0.081 local terms energy: -56.626729 where: bonds (distance) C4'-P energy: -8.016 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -5.887 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: 8 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -192.531442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.531442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.531442 (E_RNA) where: Base-Base interactions energy: -129.049 where: short stacking energy: -54.426 Base-Backbone interact. energy: -0.151 local terms energy: -63.331394 where: bonds (distance) C4'-P energy: -9.754 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -11.166 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: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -80.668434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.668434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.668434 (E_RNA) where: Base-Base interactions energy: -31.321 where: short stacking energy: -31.321 Base-Backbone interact. energy: -0.216 local terms energy: -49.130603 where: bonds (distance) C4'-P energy: -10.155 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -7.562 tors. eta vs tors. theta energy: -2.053 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: 354 Temperature: 1.350000 Total energy: -70.388891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.388891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.388891 (E_RNA) where: Base-Base interactions energy: -33.267 where: short stacking energy: -32.598 Base-Backbone interact. energy: -0.177 local terms energy: -36.944539 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -6.930 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -219.747994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.747994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.747994 (E_RNA) where: Base-Base interactions energy: -149.802 where: short stacking energy: -67.710 Base-Backbone interact. energy: -0.134 local terms energy: -69.812974 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -19.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -211.799981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.799981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.799981 (E_RNA) where: Base-Base interactions energy: -149.280 where: short stacking energy: -61.378 Base-Backbone interact. energy: -0.597 local terms energy: -61.922963 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -10.759 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -9.161 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: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -217.146140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.146140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.146140 (E_RNA) where: Base-Base interactions energy: -148.522 where: short stacking energy: -69.765 Base-Backbone interact. energy: -0.051 local terms energy: -68.573331 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -8.518 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: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -212.692152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.692152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.692152 (E_RNA) where: Base-Base interactions energy: -145.585 where: short stacking energy: -65.090 Base-Backbone interact. energy: -0.123 local terms energy: -66.984935 where: bonds (distance) C4'-P energy: -15.260 bonds (distance) P-C4' energy: -9.501 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -11.179 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: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -205.440360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.440360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.440360 (E_RNA) where: Base-Base interactions energy: -145.087 where: short stacking energy: -59.518 Base-Backbone interact. energy: -0.725 local terms energy: -59.628814 where: bonds (distance) C4'-P energy: -9.938 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -16.078 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: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -198.703790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.703790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.703790 (E_RNA) where: Base-Base interactions energy: -137.574 where: short stacking energy: -56.003 Base-Backbone interact. energy: -0.113 local terms energy: -61.016887 where: bonds (distance) C4'-P energy: -10.806 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -16.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -197.337394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.337394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.337394 (E_RNA) where: Base-Base interactions energy: -132.492 where: short stacking energy: -58.267 Base-Backbone interact. energy: -0.199 local terms energy: -64.645805 where: bonds (distance) C4'-P energy: -14.189 bonds (distance) P-C4' energy: -7.152 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -11.696 tors. eta vs tors. theta energy: -17.374 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: 8 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -197.179600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.179600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.179600 (E_RNA) where: Base-Base interactions energy: -133.839 where: short stacking energy: -57.723 Base-Backbone interact. energy: -0.005 local terms energy: -63.335877 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -10.303 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -14.012 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: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -76.976648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.976648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.976648 (E_RNA) where: Base-Base interactions energy: -33.154 where: short stacking energy: -26.527 Base-Backbone interact. energy: -0.072 local terms energy: -43.750713 where: bonds (distance) C4'-P energy: -7.535 bonds (distance) P-C4' energy: -11.185 flat angles C4'-P-C4' energy: -9.691 flat angles P-C4'-P energy: -9.177 tors. eta vs tors. theta energy: -6.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -97.791223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.791223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.791223 (E_RNA) where: Base-Base interactions energy: -61.417 where: short stacking energy: -29.877 Base-Backbone interact. energy: 2.669 local terms energy: -39.042655 where: bonds (distance) C4'-P energy: -9.526 bonds (distance) P-C4' energy: -9.154 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: 0.407 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: 356 Temperature: 0.900000 Total energy: -218.501086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.501086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.501086 (E_RNA) where: Base-Base interactions energy: -146.643 where: short stacking energy: -70.018 Base-Backbone interact. energy: -0.073 local terms energy: -71.785167 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -15.357 flat angles P-C4'-P energy: -11.238 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: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -217.952497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.952497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.952497 (E_RNA) where: Base-Base interactions energy: -146.475 where: short stacking energy: -65.324 Base-Backbone interact. energy: -0.353 local terms energy: -71.124129 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -15.476 flat angles P-C4'-P energy: -11.208 tors. eta vs tors. theta energy: -19.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -215.271734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.271734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.271734 (E_RNA) where: Base-Base interactions energy: -148.930 where: short stacking energy: -64.012 Base-Backbone interact. energy: -0.020 local terms energy: -66.322094 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -9.298 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -9.165 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: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -222.722779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.722779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.722779 (E_RNA) where: Base-Base interactions energy: -146.631 where: short stacking energy: -69.881 Base-Backbone interact. energy: 0.521 local terms energy: -76.613020 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -15.378 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: -21.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -212.768380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.768380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.768380 (E_RNA) where: Base-Base interactions energy: -145.631 where: short stacking energy: -66.987 Base-Backbone interact. energy: -1.447 local terms energy: -65.690893 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -10.072 flat angles C4'-P-C4' energy: -14.001 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -204.898267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.898267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.898267 (E_RNA) where: Base-Base interactions energy: -140.232 where: short stacking energy: -60.011 Base-Backbone interact. energy: -0.008 local terms energy: -64.657975 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -9.507 flat angles C4'-P-C4' energy: -11.126 flat angles P-C4'-P energy: -10.622 tors. eta vs tors. theta energy: -17.948 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: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -204.184286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.184286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.184286 (E_RNA) where: Base-Base interactions energy: -139.362 where: short stacking energy: -59.116 Base-Backbone interact. energy: -0.067 local terms energy: -64.754956 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -7.616 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: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -189.383592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.383592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.383592 (E_RNA) where: Base-Base interactions energy: -130.663 where: short stacking energy: -52.733 Base-Backbone interact. energy: -0.004 local terms energy: -58.717024 where: bonds (distance) C4'-P energy: -10.777 bonds (distance) P-C4' energy: -11.959 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -13.438 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: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -112.420803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.420803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.420803 (E_RNA) where: Base-Base interactions energy: -71.926 where: short stacking energy: -44.185 Base-Backbone interact. energy: -0.154 local terms energy: -40.340260 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -6.420 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: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -70.063726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.063726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.063726 (E_RNA) where: Base-Base interactions energy: -18.274 where: short stacking energy: -16.914 Base-Backbone interact. energy: -0.206 local terms energy: -51.583695 where: bonds (distance) C4'-P energy: -14.338 bonds (distance) P-C4' energy: -14.962 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -227.514829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.514829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.514829 (E_RNA) where: Base-Base interactions energy: -154.210 where: short stacking energy: -67.709 Base-Backbone interact. energy: -0.004 local terms energy: -73.300825 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.009 flat angles P-C4'-P energy: -10.484 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: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -214.695838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.695838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.695838 (E_RNA) where: Base-Base interactions energy: -143.678 where: short stacking energy: -58.588 Base-Backbone interact. energy: -0.310 local terms energy: -70.707402 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -11.518 flat angles C4'-P-C4' energy: -15.919 flat angles P-C4'-P energy: -10.695 tors. eta vs tors. theta energy: -17.467 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: 357 Temperature: 1.000000 Total energy: -211.725477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.725477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.725477 (E_RNA) where: Base-Base interactions energy: -147.400 where: short stacking energy: -69.543 Base-Backbone interact. energy: -0.000 local terms energy: -64.325029 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -17.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -213.495162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.495162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.495162 (E_RNA) where: Base-Base interactions energy: -148.954 where: short stacking energy: -65.104 Base-Backbone interact. energy: -0.089 local terms energy: -64.451628 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -10.517 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -16.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -207.173210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.173210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.173210 (E_RNA) where: Base-Base interactions energy: -136.593 where: short stacking energy: -56.803 Base-Backbone interact. energy: -0.000 local terms energy: -70.580346 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -12.798 flat angles C4'-P-C4' energy: -15.482 flat angles P-C4'-P energy: -13.255 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: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -200.440364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.440364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.440364 (E_RNA) where: Base-Base interactions energy: -137.647 where: short stacking energy: -60.499 Base-Backbone interact. energy: -0.191 local terms energy: -62.602508 where: bonds (distance) C4'-P energy: -9.321 bonds (distance) P-C4' energy: -14.570 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -8.909 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: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -195.859253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.859253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.859253 (E_RNA) where: Base-Base interactions energy: -134.985 where: short stacking energy: -58.317 Base-Backbone interact. energy: -0.297 local terms energy: -60.576706 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -11.043 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -193.231287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.231287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.231287 (E_RNA) where: Base-Base interactions energy: -132.769 where: short stacking energy: -61.201 Base-Backbone interact. energy: -0.190 local terms energy: -60.272426 where: bonds (distance) C4'-P energy: -10.068 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -16.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -77.009733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.009733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.009733 (E_RNA) where: Base-Base interactions energy: -32.399 where: short stacking energy: -32.399 Base-Backbone interact. energy: -0.158 local terms energy: -44.453195 where: bonds (distance) C4'-P energy: -11.314 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -10.169 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -79.805885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.805885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.805885 (E_RNA) where: Base-Base interactions energy: -33.576 where: short stacking energy: -30.120 Base-Backbone interact. energy: -0.072 local terms energy: -46.157368 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -16.316 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -219.526685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.526685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.526685 (E_RNA) where: Base-Base interactions energy: -146.693 where: short stacking energy: -64.689 Base-Backbone interact. energy: -0.023 local terms energy: -72.810889 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -16.165 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -17.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -214.735080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.735080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.735080 (E_RNA) where: Base-Base interactions energy: -142.820 where: short stacking energy: -61.722 Base-Backbone interact. energy: -0.091 local terms energy: -71.824369 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -11.066 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: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -205.703462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.703462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.703462 (E_RNA) where: Base-Base interactions energy: -138.466 where: short stacking energy: -60.836 Base-Backbone interact. energy: 0.067 local terms energy: -67.304654 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -12.327 tors. eta vs tors. theta energy: -16.088 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: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -219.263402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.263402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.263402 (E_RNA) where: Base-Base interactions energy: -143.695 where: short stacking energy: -65.138 Base-Backbone interact. energy: -0.001 local terms energy: -75.567005 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -12.347 tors. eta vs tors. theta energy: -19.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -202.795591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.795591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.795591 (E_RNA) where: Base-Base interactions energy: -142.311 where: short stacking energy: -58.624 Base-Backbone interact. energy: -0.110 local terms energy: -60.374898 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: -14.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -200.837970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.837970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.837970 (E_RNA) where: Base-Base interactions energy: -134.063 where: short stacking energy: -62.784 Base-Backbone interact. energy: -0.001 local terms energy: -66.774517 where: bonds (distance) C4'-P energy: -7.834 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -19.928 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: 7, replica: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -197.524651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.524651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.524651 (E_RNA) where: Base-Base interactions energy: -133.232 where: short stacking energy: -51.189 Base-Backbone interact. energy: -0.765 local terms energy: -63.527851 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -18.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -197.280285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.280285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.280285 (E_RNA) where: Base-Base interactions energy: -138.897 where: short stacking energy: -55.731 Base-Backbone interact. energy: -0.098 local terms energy: -58.284868 where: bonds (distance) C4'-P energy: -13.452 bonds (distance) P-C4' energy: -11.023 flat angles C4'-P-C4' energy: -10.028 flat angles P-C4'-P energy: -10.821 tors. eta vs tors. theta energy: -12.962 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: 358 Temperature: 1.300000 Total energy: -79.509427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.509427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.509427 (E_RNA) where: Base-Base interactions energy: -36.855 where: short stacking energy: -33.880 Base-Backbone interact. energy: -0.347 local terms energy: -42.307479 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -2.479 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: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -79.580894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.580894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.580894 (E_RNA) where: Base-Base interactions energy: -26.316 where: short stacking energy: -25.518 Base-Backbone interact. energy: -0.064 local terms energy: -53.200890 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -16.894 flat angles C4'-P-C4' energy: -14.678 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -223.447782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.447782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.447782 (E_RNA) where: Base-Base interactions energy: -150.532 where: short stacking energy: -65.961 Base-Backbone interact. energy: -0.634 local terms energy: -72.282373 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -12.981 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -19.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -215.201858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.201858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.201858 (E_RNA) where: Base-Base interactions energy: -144.307 where: short stacking energy: -59.930 Base-Backbone interact. energy: -0.588 local terms energy: -70.306334 where: bonds (distance) C4'-P energy: -13.274 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -211.396957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.396957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.396957 (E_RNA) where: Base-Base interactions energy: -147.380 where: short stacking energy: -57.283 Base-Backbone interact. energy: -0.279 local terms energy: -63.738358 where: bonds (distance) C4'-P energy: -14.081 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -11.566 tors. eta vs tors. theta energy: -11.514 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: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -210.585450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.585450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.585450 (E_RNA) where: Base-Base interactions energy: -150.818 where: short stacking energy: -64.431 Base-Backbone interact. energy: -0.481 local terms energy: -59.286532 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -11.089 flat angles P-C4'-P energy: -8.667 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: 359 Temperature: 1.100000 Total energy: -205.938333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.938333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.938333 (E_RNA) where: Base-Base interactions energy: -137.864 where: short stacking energy: -60.007 Base-Backbone interact. energy: -0.295 local terms energy: -67.778974 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -9.190 flat angles C4'-P-C4' energy: -16.299 flat angles P-C4'-P energy: -10.457 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: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -200.887938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.887938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.887938 (E_RNA) where: Base-Base interactions energy: -130.869 where: short stacking energy: -59.524 Base-Backbone interact. energy: -0.919 local terms energy: -69.099371 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -15.881 flat angles P-C4'-P energy: -9.401 tors. eta vs tors. theta energy: -18.167 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: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -193.446139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.446139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.446139 (E_RNA) where: Base-Base interactions energy: -132.696 where: short stacking energy: -57.620 Base-Backbone interact. energy: -0.037 local terms energy: -60.713386 where: bonds (distance) C4'-P energy: -6.172 bonds (distance) P-C4' energy: -10.890 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -11.766 tors. eta vs tors. theta energy: -17.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -208.138114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.138114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.138114 (E_RNA) where: Base-Base interactions energy: -144.551 where: short stacking energy: -64.346 Base-Backbone interact. energy: -0.475 local terms energy: -63.112321 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -11.584 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -9.044 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: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -82.904696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.904696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.904696 (E_RNA) where: Base-Base interactions energy: -42.479 where: short stacking energy: -38.166 Base-Backbone interact. energy: -0.084 local terms energy: -40.341735 where: bonds (distance) C4'-P energy: -13.451 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -71.205660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.205660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.205660 (E_RNA) where: Base-Base interactions energy: -24.432 where: short stacking energy: -24.432 Base-Backbone interact. energy: -0.027 local terms energy: -46.746959 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -6.010 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: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -224.278862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.278862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.278862 (E_RNA) where: Base-Base interactions energy: -155.241 where: short stacking energy: -67.297 Base-Backbone interact. energy: -0.014 local terms energy: -69.023154 where: bonds (distance) C4'-P energy: -12.623 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -11.210 tors. eta vs tors. theta energy: -18.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -223.675271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.675271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.675271 (E_RNA) where: Base-Base interactions energy: -158.802 where: short stacking energy: -71.769 Base-Backbone interact. energy: -0.007 local terms energy: -64.865826 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -11.543 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -9.130 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: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -220.519260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.519260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.519260 (E_RNA) where: Base-Base interactions energy: -147.432 where: short stacking energy: -64.886 Base-Backbone interact. energy: -0.212 local terms energy: -72.875403 where: bonds (distance) C4'-P energy: -13.053 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -13.332 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: 4, replica: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -211.296377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.296377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.296377 (E_RNA) where: Base-Base interactions energy: -150.092 where: short stacking energy: -68.031 Base-Backbone interact. energy: -0.624 local terms energy: -60.580865 where: bonds (distance) C4'-P energy: -9.018 bonds (distance) P-C4' energy: -15.690 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -16.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -206.950367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.950367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.950367 (E_RNA) where: Base-Base interactions energy: -134.756 where: short stacking energy: -61.399 Base-Backbone interact. energy: -0.951 local terms energy: -71.243075 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -11.729 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: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -203.722775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.722775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.722775 (E_RNA) where: Base-Base interactions energy: -142.146 where: short stacking energy: -56.921 Base-Backbone interact. energy: -0.003 local terms energy: -61.573488 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -12.658 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -8.278 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: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -203.774026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.774026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.774026 (E_RNA) where: Base-Base interactions energy: -135.590 where: short stacking energy: -58.132 Base-Backbone interact. energy: -0.672 local terms energy: -67.511878 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -18.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -185.298156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.298156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.298156 (E_RNA) where: Base-Base interactions energy: -133.589 where: short stacking energy: -53.095 Base-Backbone interact. energy: -0.345 local terms energy: -51.364116 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -11.398 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: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -87.582516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.582516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.582516 (E_RNA) where: Base-Base interactions energy: -35.069 where: short stacking energy: -35.069 Base-Backbone interact. energy: -0.277 local terms energy: -52.236293 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -11.823 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -77.779568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.779568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.779568 (E_RNA) where: Base-Base interactions energy: -36.339 where: short stacking energy: -26.810 Base-Backbone interact. energy: -0.166 local terms energy: -41.274806 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -10.798 flat angles C4'-P-C4' energy: -11.384 flat angles P-C4'-P energy: -8.096 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: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -220.119403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.119403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.119403 (E_RNA) where: Base-Base interactions energy: -148.601 where: short stacking energy: -67.863 Base-Backbone interact. energy: -2.851 local terms energy: -68.667247 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -12.107 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -20.850 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: 361 Temperature: 0.950000 Total energy: -224.899170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.899170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.899170 (E_RNA) where: Base-Base interactions energy: -154.563 where: short stacking energy: -68.568 Base-Backbone interact. energy: -0.972 local terms energy: -69.364373 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -11.188 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -20.499 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: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -212.719593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.719593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.719593 (E_RNA) where: Base-Base interactions energy: -145.876 where: short stacking energy: -64.856 Base-Backbone interact. energy: -0.003 local terms energy: -66.840693 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -9.837 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: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -212.512574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.512574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.512574 (E_RNA) where: Base-Base interactions energy: -143.676 where: short stacking energy: -61.247 Base-Backbone interact. energy: -1.191 local terms energy: -67.646369 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -10.189 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: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -200.971583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.971583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.971583 (E_RNA) where: Base-Base interactions energy: -135.729 where: short stacking energy: -54.396 Base-Backbone interact. energy: 0.660 local terms energy: -65.902033 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -9.584 tors. eta vs tors. theta energy: -13.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -203.463118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.463118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.463118 (E_RNA) where: Base-Base interactions energy: -141.711 where: short stacking energy: -65.804 Base-Backbone interact. energy: -0.025 local terms energy: -61.727791 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -3.817 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: 7, replica: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -197.995819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.995819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.995819 (E_RNA) where: Base-Base interactions energy: -146.177 where: short stacking energy: -54.755 Base-Backbone interact. energy: -0.343 local terms energy: -51.475439 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -10.341 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -5.277 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: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -192.622639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.622639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.622639 (E_RNA) where: Base-Base interactions energy: -136.083 where: short stacking energy: -62.514 Base-Backbone interact. energy: 0.013 local terms energy: -56.552545 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -10.739 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -13.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -71.412089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.412089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.412089 (E_RNA) where: Base-Base interactions energy: -27.759 where: short stacking energy: -27.118 Base-Backbone interact. energy: -0.028 local terms energy: -43.625043 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -1.143 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: 1 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -68.261438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.261438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.261438 (E_RNA) where: Base-Base interactions energy: -18.344 where: short stacking energy: -17.812 Base-Backbone interact. energy: 1.407 local terms energy: -51.324436 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -6.614 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -225.134894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.134894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.134894 (E_RNA) where: Base-Base interactions energy: -152.617 where: short stacking energy: -71.465 Base-Backbone interact. energy: -0.195 local terms energy: -72.322553 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -13.186 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: 362 Temperature: 0.950000 Total energy: -223.200496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.200496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.200496 (E_RNA) where: Base-Base interactions energy: -154.323 where: short stacking energy: -64.668 Base-Backbone interact. energy: -0.411 local terms energy: -68.466189 where: bonds (distance) C4'-P energy: -14.527 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -15.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -212.015569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.015569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.015569 (E_RNA) where: Base-Base interactions energy: -140.660 where: short stacking energy: -59.874 Base-Backbone interact. energy: -0.631 local terms energy: -70.724724 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -15.370 flat angles P-C4'-P energy: -11.369 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: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -216.837541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.837541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.837541 (E_RNA) where: Base-Base interactions energy: -151.164 where: short stacking energy: -66.918 Base-Backbone interact. energy: -0.000 local terms energy: -65.673491 where: bonds (distance) C4'-P energy: -10.661 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -7.764 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: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -214.026948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.026948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.026948 (E_RNA) where: Base-Base interactions energy: -143.193 where: short stacking energy: -67.015 Base-Backbone interact. energy: -0.184 local terms energy: -70.649630 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -8.558 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -199.173561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.173561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.173561 (E_RNA) where: Base-Base interactions energy: -126.908 where: short stacking energy: -53.132 Base-Backbone interact. energy: -0.000 local terms energy: -72.265208 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -13.581 flat angles P-C4'-P energy: -11.695 tors. eta vs tors. theta energy: -16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -195.275531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.275531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.275531 (E_RNA) where: Base-Base interactions energy: -137.753 where: short stacking energy: -56.980 Base-Backbone interact. energy: 0.021 local terms energy: -57.543411 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -9.982 flat angles C4'-P-C4' energy: -15.148 flat angles P-C4'-P energy: -10.875 tors. eta vs tors. theta energy: -10.626 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: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -191.860895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.860895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.860895 (E_RNA) where: Base-Base interactions energy: -133.944 where: short stacking energy: -51.775 Base-Backbone interact. energy: -0.104 local terms energy: -57.812960 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -8.572 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: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -74.582028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.582028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.582028 (E_RNA) where: Base-Base interactions energy: -31.684 where: short stacking energy: -28.677 Base-Backbone interact. energy: -0.070 local terms energy: -42.828378 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -5.134 flat angles C4'-P-C4' energy: -11.991 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -3.963 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: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -84.349417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.349417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.349417 (E_RNA) where: Base-Base interactions energy: -34.610 where: short stacking energy: -34.610 Base-Backbone interact. energy: -0.027 local terms energy: -49.712172 where: bonds (distance) C4'-P energy: -3.769 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -15.586 flat angles P-C4'-P energy: -11.260 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: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -217.734960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.734960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.734960 (E_RNA) where: Base-Base interactions energy: -147.134 where: short stacking energy: -62.405 Base-Backbone interact. energy: -0.352 local terms energy: -70.249012 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -13.767 tors. eta vs tors. theta energy: -15.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -217.958087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.958087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.958087 (E_RNA) where: Base-Base interactions energy: -147.643 where: short stacking energy: -65.361 Base-Backbone interact. energy: -0.221 local terms energy: -70.093342 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -14.055 flat angles C4'-P-C4' energy: -15.887 flat angles P-C4'-P energy: -6.843 tors. eta vs tors. theta energy: -19.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -218.422751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.422751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.422751 (E_RNA) where: Base-Base interactions energy: -151.173 where: short stacking energy: -66.095 Base-Backbone interact. energy: -0.170 local terms energy: -67.079676 where: bonds (distance) C4'-P energy: -7.962 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -19.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -207.519182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.519182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.519182 (E_RNA) where: Base-Base interactions energy: -146.261 where: short stacking energy: -58.918 Base-Backbone interact. energy: -0.627 local terms energy: -60.630892 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -12.264 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -14.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -211.804028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.804028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.804028 (E_RNA) where: Base-Base interactions energy: -143.893 where: short stacking energy: -62.398 Base-Backbone interact. energy: -0.803 local terms energy: -67.108330 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -11.133 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: 6, replica: 9 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -204.353157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.353157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.353157 (E_RNA) where: Base-Base interactions energy: -136.463 where: short stacking energy: -56.511 Base-Backbone interact. energy: -0.151 local terms energy: -67.739446 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -11.231 tors. eta vs tors. theta energy: -14.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -200.744820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.744820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.744820 (E_RNA) where: Base-Base interactions energy: -140.909 where: short stacking energy: -58.738 Base-Backbone interact. energy: -0.000 local terms energy: -59.835731 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -16.767 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: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -202.947353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.947353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.947353 (E_RNA) where: Base-Base interactions energy: -140.354 where: short stacking energy: -63.548 Base-Backbone interact. energy: -0.047 local terms energy: -62.546070 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -12.726 flat angles P-C4'-P energy: -6.826 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: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -77.719160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.719160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.719160 (E_RNA) where: Base-Base interactions energy: -35.915 where: short stacking energy: -33.515 Base-Backbone interact. energy: -0.049 local terms energy: -41.755468 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -9.618 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -7.670 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: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -73.774854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.774854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.774854 (E_RNA) where: Base-Base interactions energy: -31.589 where: short stacking energy: -26.935 Base-Backbone interact. energy: -0.203 local terms energy: -41.983562 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -8.279 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -10.422 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: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -221.370514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.370514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.370514 (E_RNA) where: Base-Base interactions energy: -149.631 where: short stacking energy: -65.804 Base-Backbone interact. energy: -0.144 local terms energy: -71.595962 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -12.027 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: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -209.321975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.321975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.321975 (E_RNA) where: Base-Base interactions energy: -141.303 where: short stacking energy: -60.990 Base-Backbone interact. energy: -0.177 local terms energy: -67.842025 where: bonds (distance) C4'-P energy: -12.209 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -14.498 flat angles P-C4'-P energy: -9.502 tors. eta vs tors. theta energy: -17.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -216.541568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.541568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.541568 (E_RNA) where: Base-Base interactions energy: -156.088 where: short stacking energy: -59.631 Base-Backbone interact. energy: 0.073 local terms energy: -60.526491 where: bonds (distance) C4'-P energy: -8.608 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -11.669 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -13.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -212.292986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.292986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.292986 (E_RNA) where: Base-Base interactions energy: -141.418 where: short stacking energy: -63.707 Base-Backbone interact. energy: -0.070 local terms energy: -70.805213 where: bonds (distance) C4'-P energy: -13.066 bonds (distance) P-C4' energy: -15.717 flat angles C4'-P-C4' energy: -16.047 flat angles P-C4'-P energy: -9.877 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: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -210.329473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.329473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.329473 (E_RNA) where: Base-Base interactions energy: -138.634 where: short stacking energy: -60.991 Base-Backbone interact. energy: -0.091 local terms energy: -71.604333 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -15.013 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -17.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -202.852728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.852728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.852728 (E_RNA) where: Base-Base interactions energy: -141.777 where: short stacking energy: -56.656 Base-Backbone interact. energy: -0.148 local terms energy: -60.927577 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -13.408 tors. eta vs tors. theta energy: -12.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -197.583527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.583527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.583527 (E_RNA) where: Base-Base interactions energy: -132.684 where: short stacking energy: -58.250 Base-Backbone interact. energy: -0.073 local terms energy: -64.826985 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -6.906 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: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -191.935689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.935689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.935689 (E_RNA) where: Base-Base interactions energy: -132.267 where: short stacking energy: -52.572 Base-Backbone interact. energy: -0.091 local terms energy: -59.577632 where: bonds (distance) C4'-P energy: -15.679 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.014 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -13.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -74.233500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.233500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.233500 (E_RNA) where: Base-Base interactions energy: -30.612 where: short stacking energy: -30.612 Base-Backbone interact. energy: -0.112 local terms energy: -43.509941 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -10.950 flat angles C4'-P-C4' energy: -9.895 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -5.640 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: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -73.753695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.753695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.753695 (E_RNA) where: Base-Base interactions energy: -25.714 where: short stacking energy: -25.520 Base-Backbone interact. energy: -0.477 local terms energy: -47.562941 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -223.668544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.668544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.668544 (E_RNA) where: Base-Base interactions energy: -152.795 where: short stacking energy: -64.720 Base-Backbone interact. energy: -0.167 local terms energy: -70.706738 where: bonds (distance) C4'-P energy: -15.520 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -11.632 flat angles P-C4'-P energy: -9.856 tors. eta vs tors. theta energy: -19.666 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: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -222.691621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.691621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.691621 (E_RNA) where: Base-Base interactions energy: -145.801 where: short stacking energy: -63.433 Base-Backbone interact. energy: -0.176 local terms energy: -76.714139 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -16.517 flat angles P-C4'-P energy: -12.191 tors. eta vs tors. theta energy: -21.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -223.967973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.967973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.967973 (E_RNA) where: Base-Base interactions energy: -152.276 where: short stacking energy: -65.682 Base-Backbone interact. energy: 0.006 local terms energy: -71.698651 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -12.001 flat angles C4'-P-C4' energy: -15.304 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -19.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -205.080416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.080416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.080416 (E_RNA) where: Base-Base interactions energy: -137.401 where: short stacking energy: -57.236 Base-Backbone interact. energy: -0.006 local terms energy: -67.672750 where: bonds (distance) C4'-P energy: -10.860 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -18.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -215.986490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.986490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.986490 (E_RNA) where: Base-Base interactions energy: -144.390 where: short stacking energy: -57.573 Base-Backbone interact. energy: 1.565 local terms energy: -73.161958 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -15.887 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -17.482 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: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -198.037711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.037711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.037711 (E_RNA) where: Base-Base interactions energy: -134.665 where: short stacking energy: -55.454 Base-Backbone interact. energy: -0.205 local terms energy: -63.167220 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -11.599 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -14.750 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: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -191.652577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.652577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.652577 (E_RNA) where: Base-Base interactions energy: -136.187 where: short stacking energy: -59.307 Base-Backbone interact. energy: 0.245 local terms energy: -55.710614 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -11.827 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -4.771 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: 8, replica: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -200.941560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.941560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.941560 (E_RNA) where: Base-Base interactions energy: -137.598 where: short stacking energy: -63.972 Base-Backbone interact. energy: -0.002 local terms energy: -63.341241 where: bonds (distance) C4'-P energy: -14.502 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -12.040 flat angles P-C4'-P energy: -9.068 tors. eta vs tors. theta energy: -14.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -68.966633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.966633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.966633 (E_RNA) where: Base-Base interactions energy: -27.619 where: short stacking energy: -24.532 Base-Backbone interact. energy: -0.183 local terms energy: -41.165157 where: bonds (distance) C4'-P energy: -11.492 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -88.975923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.975923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.975923 (E_RNA) where: Base-Base interactions energy: -40.945 where: short stacking energy: -39.253 Base-Backbone interact. energy: -0.004 local terms energy: -48.027002 where: bonds (distance) C4'-P energy: -15.083 bonds (distance) P-C4' energy: -9.681 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -9.001 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: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -221.990641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.990641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.990641 (E_RNA) where: Base-Base interactions energy: -149.663 where: short stacking energy: -71.722 Base-Backbone interact. energy: -0.018 local terms energy: -72.310006 where: bonds (distance) C4'-P energy: -15.281 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -20.462 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: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -217.053678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.053678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.053678 (E_RNA) where: Base-Base interactions energy: -154.531 where: short stacking energy: -64.224 Base-Backbone interact. energy: -0.333 local terms energy: -62.190085 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -13.366 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -8.731 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: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -214.902379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.902379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.902379 (E_RNA) where: Base-Base interactions energy: -145.171 where: short stacking energy: -64.113 Base-Backbone interact. energy: -0.229 local terms energy: -69.502819 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -14.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -212.744432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.744432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.744432 (E_RNA) where: Base-Base interactions energy: -148.639 where: short stacking energy: -69.319 Base-Backbone interact. energy: -0.388 local terms energy: -63.716728 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -7.029 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -10.451 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: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -210.983464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.983464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.983464 (E_RNA) where: Base-Base interactions energy: -146.842 where: short stacking energy: -59.325 Base-Backbone interact. energy: -0.017 local terms energy: -64.124184 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -11.574 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -16.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -208.098067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.098067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.098067 (E_RNA) where: Base-Base interactions energy: -147.815 where: short stacking energy: -63.123 Base-Backbone interact. energy: -0.256 local terms energy: -60.027520 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -14.114 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -17.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -204.557593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.557593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.557593 (E_RNA) where: Base-Base interactions energy: -139.841 where: short stacking energy: -60.076 Base-Backbone interact. energy: -0.017 local terms energy: -64.699104 where: bonds (distance) C4'-P energy: -10.707 bonds (distance) P-C4' energy: -15.332 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -15.786 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: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -151.081118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.081118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.081118 (E_RNA) where: Base-Base interactions energy: -97.209 where: short stacking energy: -48.734 Base-Backbone interact. energy: -0.150 local terms energy: -53.721815 where: bonds (distance) C4'-P energy: -9.657 bonds (distance) P-C4' energy: -12.712 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -7.827 tors. eta vs tors. theta energy: -8.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -78.988292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.988292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.988292 (E_RNA) where: Base-Base interactions energy: -33.787 where: short stacking energy: -33.787 Base-Backbone interact. energy: -0.114 local terms energy: -45.087434 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -7.715 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: -6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -72.208957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.208957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.208957 (E_RNA) where: Base-Base interactions energy: -24.579 where: short stacking energy: -24.579 Base-Backbone interact. energy: -0.197 local terms energy: -47.432278 where: bonds (distance) C4'-P energy: -10.553 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -10.047 flat angles P-C4'-P energy: -9.430 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: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -224.051931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.051931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.051931 (E_RNA) where: Base-Base interactions energy: -153.010 where: short stacking energy: -62.074 Base-Backbone interact. energy: -0.409 local terms energy: -70.632249 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -12.866 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -11.182 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: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -220.217705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.217705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.217705 (E_RNA) where: Base-Base interactions energy: -147.361 where: short stacking energy: -65.398 Base-Backbone interact. energy: -0.211 local terms energy: -72.646392 where: bonds (distance) C4'-P energy: -13.762 bonds (distance) P-C4' energy: -15.218 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -10.225 tors. eta vs tors. theta energy: -20.384 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -218.759276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.759276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.759276 (E_RNA) where: Base-Base interactions energy: -146.855 where: short stacking energy: -64.355 Base-Backbone interact. energy: -0.053 local terms energy: -71.851243 where: bonds (distance) C4'-P energy: -15.686 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -15.310 flat angles P-C4'-P energy: -9.144 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: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -212.870279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.870279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.870279 (E_RNA) where: Base-Base interactions energy: -143.251 where: short stacking energy: -60.762 Base-Backbone interact. energy: -0.702 local terms energy: -68.917187 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -10.023 tors. eta vs tors. theta energy: -16.781 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: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -201.431156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.431156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.431156 (E_RNA) where: Base-Base interactions energy: -134.980 where: short stacking energy: -55.952 Base-Backbone interact. energy: -0.291 local terms energy: -66.160437 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -14.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -201.256841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.256841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.256841 (E_RNA) where: Base-Base interactions energy: -137.813 where: short stacking energy: -61.931 Base-Backbone interact. energy: -0.002 local terms energy: -63.442212 where: bonds (distance) C4'-P energy: -10.315 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -11.576 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: 7, replica: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -199.911190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.911190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.911190 (E_RNA) where: Base-Base interactions energy: -139.047 where: short stacking energy: -49.282 Base-Backbone interact. energy: -0.121 local terms energy: -60.743400 where: bonds (distance) C4'-P energy: -13.616 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -15.351 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -11.308 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: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -148.430038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.430038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.430038 (E_RNA) where: Base-Base interactions energy: -100.648 where: short stacking energy: -45.062 Base-Backbone interact. energy: 0.087 local terms energy: -47.868743 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -9.107 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -3.959 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: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -74.099915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.099915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.099915 (E_RNA) where: Base-Base interactions energy: -26.801 where: short stacking energy: -26.801 Base-Backbone interact. energy: -0.292 local terms energy: -47.006836 where: bonds (distance) C4'-P energy: -10.954 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -2.596 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: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -70.434849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.434849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.434849 (E_RNA) where: Base-Base interactions energy: -27.325 where: short stacking energy: -23.429 Base-Backbone interact. energy: -0.356 local terms energy: -42.753965 where: bonds (distance) C4'-P energy: -10.723 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -11.001 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -1.802 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: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -230.151725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.151725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.151725 (E_RNA) where: Base-Base interactions energy: -156.476 where: short stacking energy: -66.308 Base-Backbone interact. energy: -0.029 local terms energy: -73.647465 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -16.028 flat angles P-C4'-P energy: -9.576 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: 2, replica: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -217.733492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.733492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.733492 (E_RNA) where: Base-Base interactions energy: -146.989 where: short stacking energy: -67.053 Base-Backbone interact. energy: -0.575 local terms energy: -70.169564 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -16.118 flat angles P-C4'-P energy: -11.029 tors. eta vs tors. theta energy: -20.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -210.919686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.919686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.919686 (E_RNA) where: Base-Base interactions energy: -145.511 where: short stacking energy: -61.665 Base-Backbone interact. energy: -0.005 local terms energy: -65.403623 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -9.514 flat angles P-C4'-P energy: -9.636 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: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -212.168359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.168359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.168359 (E_RNA) where: Base-Base interactions energy: -143.801 where: short stacking energy: -64.859 Base-Backbone interact. energy: -0.583 local terms energy: -67.784399 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -10.928 flat angles C4'-P-C4' energy: -16.089 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -19.447 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: 368 Temperature: 1.100000 Total energy: -206.651762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.651762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.651762 (E_RNA) where: Base-Base interactions energy: -139.595 where: short stacking energy: -59.391 Base-Backbone interact. energy: -0.028 local terms energy: -67.028850 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -8.963 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: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -202.174590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.174590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.174590 (E_RNA) where: Base-Base interactions energy: -142.499 where: short stacking energy: -57.103 Base-Backbone interact. energy: -0.104 local terms energy: -59.570911 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -14.083 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -8.918 tors. eta vs tors. theta energy: -9.133 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: 3 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -197.360678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.360678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.360678 (E_RNA) where: Base-Base interactions energy: -133.188 where: short stacking energy: -50.934 Base-Backbone interact. energy: -0.033 local terms energy: -64.139483 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -12.484 flat angles P-C4'-P energy: -11.067 tors. eta vs tors. theta energy: -9.770 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: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -161.133741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.133741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.133741 (E_RNA) where: Base-Base interactions energy: -102.613 where: short stacking energy: -47.083 Base-Backbone interact. energy: -0.066 local terms energy: -58.454744 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -7.749 tors. eta vs tors. theta energy: -12.161 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: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -77.181076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.181076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.181076 (E_RNA) where: Base-Base interactions energy: -34.339 where: short stacking energy: -31.462 Base-Backbone interact. energy: -0.053 local terms energy: -42.789024 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -11.348 flat angles P-C4'-P energy: -5.807 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: 1 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -89.432710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.432710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.432710 (E_RNA) where: Base-Base interactions energy: -37.691 where: short stacking energy: -22.055 Base-Backbone interact. energy: -0.043 local terms energy: -51.699020 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -12.947 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -6.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -220.534236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.534236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.534236 (E_RNA) where: Base-Base interactions energy: -154.470 where: short stacking energy: -70.871 Base-Backbone interact. energy: -0.101 local terms energy: -65.963783 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -10.316 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -11.834 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: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -218.617480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.617480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.617480 (E_RNA) where: Base-Base interactions energy: -149.722 where: short stacking energy: -63.864 Base-Backbone interact. energy: -0.010 local terms energy: -68.885197 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -17.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -212.925191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.925191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.925191 (E_RNA) where: Base-Base interactions energy: -145.928 where: short stacking energy: -60.095 Base-Backbone interact. energy: -0.618 local terms energy: -66.379357 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -10.246 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: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -208.358727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.358727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.358727 (E_RNA) where: Base-Base interactions energy: -148.823 where: short stacking energy: -61.870 Base-Backbone interact. energy: -0.006 local terms energy: -59.530010 where: bonds (distance) C4'-P energy: -10.963 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -8.429 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: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -214.827957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.827957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.827957 (E_RNA) where: Base-Base interactions energy: -144.375 where: short stacking energy: -64.385 Base-Backbone interact. energy: -0.010 local terms energy: -70.442848 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -15.982 flat angles P-C4'-P energy: -12.184 tors. eta vs tors. theta energy: -18.041 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: 6, replica: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -208.607839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.607839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.607839 (E_RNA) where: Base-Base interactions energy: -148.692 where: short stacking energy: -63.033 Base-Backbone interact. energy: -0.017 local terms energy: -59.898614 where: bonds (distance) C4'-P energy: -9.941 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -11.614 tors. eta vs tors. theta energy: -17.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -199.976633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.976633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.976633 (E_RNA) where: Base-Base interactions energy: -139.566 where: short stacking energy: -53.140 Base-Backbone interact. energy: -0.085 local terms energy: -60.325045 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -9.547 flat angles C4'-P-C4' energy: -16.869 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -14.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -154.708358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.708358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.708358 (E_RNA) where: Base-Base interactions energy: -105.332 where: short stacking energy: -46.153 Base-Backbone interact. energy: -0.085 local terms energy: -49.291513 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -11.104 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -79.916841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.916841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.916841 (E_RNA) where: Base-Base interactions energy: -32.487 where: short stacking energy: -24.080 Base-Backbone interact. energy: -0.098 local terms energy: -47.331589 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -11.071 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -2.813 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: 369 Temperature: 1.350000 Total energy: -70.079146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.079146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.079146 (E_RNA) where: Base-Base interactions energy: -30.600 where: short stacking energy: -28.559 Base-Backbone interact. energy: -0.180 local terms energy: -39.299399 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -11.537 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -4.680 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: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -228.252845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.252845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.252845 (E_RNA) where: Base-Base interactions energy: -154.956 where: short stacking energy: -71.389 Base-Backbone interact. energy: -0.116 local terms energy: -73.181343 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -14.948 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -18.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -207.444192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.444192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.444192 (E_RNA) where: Base-Base interactions energy: -139.985 where: short stacking energy: -59.641 Base-Backbone interact. energy: -0.090 local terms energy: -67.368602 where: bonds (distance) C4'-P energy: -11.585 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -16.289 flat angles P-C4'-P energy: -10.936 tors. eta vs tors. theta energy: -14.203 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: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -218.312531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.312531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.312531 (E_RNA) where: Base-Base interactions energy: -149.021 where: short stacking energy: -67.113 Base-Backbone interact. energy: 1.783 local terms energy: -71.074916 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -11.804 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: 4, replica: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -210.306960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.306960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.306960 (E_RNA) where: Base-Base interactions energy: -139.405 where: short stacking energy: -58.388 Base-Backbone interact. energy: -0.007 local terms energy: -70.894663 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -20.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -208.928924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.928924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.928924 (E_RNA) where: Base-Base interactions energy: -144.153 where: short stacking energy: -66.720 Base-Backbone interact. energy: -0.066 local terms energy: -64.710357 where: bonds (distance) C4'-P energy: -15.599 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: -17.394 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: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -208.767320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.767320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.767320 (E_RNA) where: Base-Base interactions energy: -145.570 where: short stacking energy: -63.355 Base-Backbone interact. energy: -0.046 local terms energy: -63.151720 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -12.312 tors. eta vs tors. theta energy: -14.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -202.020849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.020849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.020849 (E_RNA) where: Base-Base interactions energy: -137.252 where: short stacking energy: -60.797 Base-Backbone interact. energy: -0.722 local terms energy: -64.046850 where: bonds (distance) C4'-P energy: -12.155 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -9.472 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: 8, replica: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -188.533135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.533135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.533135 (E_RNA) where: Base-Base interactions energy: -130.096 where: short stacking energy: -51.795 Base-Backbone interact. energy: -0.087 local terms energy: -58.349613 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -11.526 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -14.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -80.472400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.472400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.472400 (E_RNA) where: Base-Base interactions energy: -31.439 where: short stacking energy: -24.930 Base-Backbone interact. energy: -0.062 local terms energy: -48.971612 where: bonds (distance) C4'-P energy: -14.474 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -11.707 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -76.599881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.599881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.599881 (E_RNA) where: Base-Base interactions energy: -42.878 where: short stacking energy: -33.928 Base-Backbone interact. energy: -0.321 local terms energy: -33.400703 where: bonds (distance) C4'-P energy: -15.501 bonds (distance) P-C4' energy: -4.581 flat angles C4'-P-C4' energy: -11.946 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: 0.499 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: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -221.544250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.544250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.544250 (E_RNA) where: Base-Base interactions energy: -155.041 where: short stacking energy: -68.050 Base-Backbone interact. energy: -0.078 local terms energy: -66.425438 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -18.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -219.859267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.859267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.859267 (E_RNA) where: Base-Base interactions energy: -146.823 where: short stacking energy: -63.389 Base-Backbone interact. energy: -0.589 local terms energy: -72.447638 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -13.360 flat angles P-C4'-P energy: -11.393 tors. eta vs tors. theta energy: -19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -209.891093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.891093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.891093 (E_RNA) where: Base-Base interactions energy: -148.284 where: short stacking energy: -67.613 Base-Backbone interact. energy: -0.003 local terms energy: -61.603814 where: bonds (distance) C4'-P energy: -10.852 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -17.990 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: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -218.856019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.856019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.856019 (E_RNA) where: Base-Base interactions energy: -147.284 where: short stacking energy: -66.994 Base-Backbone interact. energy: -0.088 local terms energy: -71.484174 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -19.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -212.056428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.056428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.056428 (E_RNA) where: Base-Base interactions energy: -143.196 where: short stacking energy: -59.943 Base-Backbone interact. energy: -0.011 local terms energy: -68.848993 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -11.596 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: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -207.035854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.035854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.035854 (E_RNA) where: Base-Base interactions energy: -139.571 where: short stacking energy: -61.691 Base-Backbone interact. energy: -0.013 local terms energy: -67.451876 where: bonds (distance) C4'-P energy: -15.410 bonds (distance) P-C4' energy: -10.491 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -9.002 tors. eta vs tors. theta energy: -19.380 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: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -204.274028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.274028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.274028 (E_RNA) where: Base-Base interactions energy: -141.330 where: short stacking energy: -57.819 Base-Backbone interact. energy: -0.328 local terms energy: -62.616485 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -9.995 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -9.349 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: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -202.812714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.812714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.812714 (E_RNA) where: Base-Base interactions energy: -137.646 where: short stacking energy: -55.907 Base-Backbone interact. energy: -0.010 local terms energy: -65.156848 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -7.500 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: 9, replica: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -72.623536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.623536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.623536 (E_RNA) where: Base-Base interactions energy: -22.773 where: short stacking energy: -22.773 Base-Backbone interact. energy: -0.124 local terms energy: -49.726165 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -119.699655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.699655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.699655 (E_RNA) where: Base-Base interactions energy: -79.479 where: short stacking energy: -31.418 Base-Backbone interact. energy: 0.261 local terms energy: -40.482072 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -11.578 flat angles P-C4'-P energy: -10.364 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -223.949674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.949674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.949674 (E_RNA) where: Base-Base interactions energy: -152.281 where: short stacking energy: -69.727 Base-Backbone interact. energy: -0.002 local terms energy: -71.667668 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -9.463 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -13.495 tors. eta vs tors. theta energy: -20.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -213.145195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.145195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.145195 (E_RNA) where: Base-Base interactions energy: -139.473 where: short stacking energy: -60.858 Base-Backbone interact. energy: -0.011 local terms energy: -73.660697 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -16.052 flat angles P-C4'-P energy: -12.837 tors. eta vs tors. theta energy: -17.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -207.106702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.106702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.106702 (E_RNA) where: Base-Base interactions energy: -143.035 where: short stacking energy: -60.729 Base-Backbone interact. energy: -0.313 local terms energy: -63.758166 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -7.508 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: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -208.132173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.132173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.132173 (E_RNA) where: Base-Base interactions energy: -140.701 where: short stacking energy: -61.289 Base-Backbone interact. energy: -0.146 local terms energy: -67.285032 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -12.928 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -10.568 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: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -213.727161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.727161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.727161 (E_RNA) where: Base-Base interactions energy: -145.305 where: short stacking energy: -62.004 Base-Backbone interact. energy: -0.036 local terms energy: -68.386145 where: bonds (distance) C4'-P energy: -9.535 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -10.279 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: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -209.580073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.580073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.580073 (E_RNA) where: Base-Base interactions energy: -142.636 where: short stacking energy: -62.148 Base-Backbone interact. energy: -2.393 local terms energy: -64.550968 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -7.005 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: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -199.410361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.410361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.410361 (E_RNA) where: Base-Base interactions energy: -137.478 where: short stacking energy: -55.602 Base-Backbone interact. energy: -0.001 local terms energy: -61.931814 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -10.683 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -15.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -198.829825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.829825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.829825 (E_RNA) where: Base-Base interactions energy: -138.236 where: short stacking energy: -62.922 Base-Backbone interact. energy: -0.837 local terms energy: -59.757048 where: bonds (distance) C4'-P energy: -9.730 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -16.744 flat angles P-C4'-P energy: -9.913 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: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -104.452286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.452286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.452286 (E_RNA) where: Base-Base interactions energy: -51.595 where: short stacking energy: -35.789 Base-Backbone interact. energy: -0.001 local terms energy: -52.855887 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -80.772234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.772234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.772234 (E_RNA) where: Base-Base interactions energy: -32.060 where: short stacking energy: -32.060 Base-Backbone interact. energy: -0.070 local terms energy: -48.642187 where: bonds (distance) C4'-P energy: -16.283 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -9.994 flat angles P-C4'-P energy: -4.960 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: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -222.388391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.388391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.388391 (E_RNA) where: Base-Base interactions energy: -150.636 where: short stacking energy: -61.784 Base-Backbone interact. energy: -0.290 local terms energy: -71.462773 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -15.447 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -17.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -212.571979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.571979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.571979 (E_RNA) where: Base-Base interactions energy: -142.177 where: short stacking energy: -66.435 Base-Backbone interact. energy: -1.603 local terms energy: -68.792571 where: bonds (distance) C4'-P energy: -15.426 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -12.185 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -18.367 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: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -212.270972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.270972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.270972 (E_RNA) where: Base-Base interactions energy: -141.805 where: short stacking energy: -65.382 Base-Backbone interact. energy: -0.339 local terms energy: -70.127182 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -16.387 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -10.613 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: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -206.779041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.779041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.779041 (E_RNA) where: Base-Base interactions energy: -146.867 where: short stacking energy: -70.101 Base-Backbone interact. energy: -0.005 local terms energy: -59.907757 where: bonds (distance) C4'-P energy: -13.066 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -18.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -219.396813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.396813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.396813 (E_RNA) where: Base-Base interactions energy: -156.369 where: short stacking energy: -70.390 Base-Backbone interact. energy: -0.279 local terms energy: -62.748658 where: bonds (distance) C4'-P energy: -8.963 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -10.674 flat angles P-C4'-P energy: -11.471 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: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -200.663951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.663951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.663951 (E_RNA) where: Base-Base interactions energy: -136.205 where: short stacking energy: -61.370 Base-Backbone interact. energy: -0.068 local terms energy: -64.391321 where: bonds (distance) C4'-P energy: -10.146 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -15.834 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: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -200.826287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.826287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.826287 (E_RNA) where: Base-Base interactions energy: -140.509 where: short stacking energy: -60.580 Base-Backbone interact. energy: -0.045 local terms energy: -60.272359 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -11.506 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -14.779 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: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -166.394212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.394212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.394212 (E_RNA) where: Base-Base interactions energy: -110.591 where: short stacking energy: -53.622 Base-Backbone interact. energy: -0.152 local terms energy: -55.651195 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -15.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -93.793753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.793753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.793753 (E_RNA) where: Base-Base interactions energy: -52.900 where: short stacking energy: -30.920 Base-Backbone interact. energy: -0.193 local terms energy: -40.700806 where: bonds (distance) C4'-P energy: -13.563 bonds (distance) P-C4' energy: -10.109 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -5.307 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: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -84.795947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.795947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.795947 (E_RNA) where: Base-Base interactions energy: -32.014 where: short stacking energy: -32.014 Base-Backbone interact. energy: -0.188 local terms energy: -52.593586 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -4.540 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: 374 Temperature: 0.900000 Total energy: -217.138517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.138517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.138517 (E_RNA) where: Base-Base interactions energy: -152.251 where: short stacking energy: -68.149 Base-Backbone interact. energy: -0.410 local terms energy: -64.477727 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -16.879 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: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -214.958637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.958637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.958637 (E_RNA) where: Base-Base interactions energy: -142.786 where: short stacking energy: -63.515 Base-Backbone interact. energy: -1.591 local terms energy: -70.582067 where: bonds (distance) C4'-P energy: -11.410 bonds (distance) P-C4' energy: -13.231 flat angles C4'-P-C4' energy: -15.597 flat angles P-C4'-P energy: -13.129 tors. eta vs tors. theta energy: -17.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -207.853611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.853611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.853611 (E_RNA) where: Base-Base interactions energy: -138.295 where: short stacking energy: -57.746 Base-Backbone interact. energy: -0.015 local terms energy: -69.543786 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -14.764 flat angles C4'-P-C4' energy: -16.217 flat angles P-C4'-P energy: -11.287 tors. eta vs tors. theta energy: -16.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -217.230768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.230768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.230768 (E_RNA) where: Base-Base interactions energy: -149.708 where: short stacking energy: -63.177 Base-Backbone interact. energy: -0.006 local terms energy: -67.516966 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -15.831 flat angles P-C4'-P energy: -9.652 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: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -208.454970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.454970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.454970 (E_RNA) where: Base-Base interactions energy: -144.017 where: short stacking energy: -61.965 Base-Backbone interact. energy: -0.250 local terms energy: -64.188239 where: bonds (distance) C4'-P energy: -10.893 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -9.692 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: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -204.370987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.370987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.370987 (E_RNA) where: Base-Base interactions energy: -140.210 where: short stacking energy: -63.495 Base-Backbone interact. energy: -1.743 local terms energy: -62.417520 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -9.216 tors. eta vs tors. theta energy: -17.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -195.937966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.937966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.937966 (E_RNA) where: Base-Base interactions energy: -135.482 where: short stacking energy: -58.735 Base-Backbone interact. energy: -0.088 local terms energy: -60.367962 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -9.249 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -20.769 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: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -173.788674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.788674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.788674 (E_RNA) where: Base-Base interactions energy: -116.405 where: short stacking energy: -54.673 Base-Backbone interact. energy: -0.033 local terms energy: -57.351286 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -12.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -79.617795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.617795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.617795 (E_RNA) where: Base-Base interactions energy: -30.361 where: short stacking energy: -30.361 Base-Backbone interact. energy: -0.108 local terms energy: -49.148904 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -71.612322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.612322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.612322 (E_RNA) where: Base-Base interactions energy: -22.590 where: short stacking energy: -21.879 Base-Backbone interact. energy: -0.146 local terms energy: -48.876571 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -6.700 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: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -217.467317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.467317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.467317 (E_RNA) where: Base-Base interactions energy: -146.949 where: short stacking energy: -64.334 Base-Backbone interact. energy: -0.316 local terms energy: -70.202446 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -9.212 tors. eta vs tors. theta energy: -19.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -217.935886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.935886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.935886 (E_RNA) where: Base-Base interactions energy: -145.320 where: short stacking energy: -68.506 Base-Backbone interact. energy: -0.006 local terms energy: -72.610096 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -19.314 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: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -214.925724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.925724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.925724 (E_RNA) where: Base-Base interactions energy: -148.611 where: short stacking energy: -67.927 Base-Backbone interact. energy: -0.000 local terms energy: -66.314420 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -18.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -208.577100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.577100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.577100 (E_RNA) where: Base-Base interactions energy: -140.767 where: short stacking energy: -61.582 Base-Backbone interact. energy: -0.256 local terms energy: -67.553694 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -14.735 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -17.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -208.587731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.587731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.587731 (E_RNA) where: Base-Base interactions energy: -138.711 where: short stacking energy: -60.523 Base-Backbone interact. energy: -0.117 local terms energy: -69.759289 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -15.148 flat angles P-C4'-P energy: -12.669 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: 6, replica: 6 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -204.188846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.188846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.188846 (E_RNA) where: Base-Base interactions energy: -139.652 where: short stacking energy: -61.132 Base-Backbone interact. energy: -0.009 local terms energy: -64.528103 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -11.450 flat angles P-C4'-P energy: -11.750 tors. eta vs tors. theta energy: -19.363 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: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -186.278539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.278539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.278539 (E_RNA) where: Base-Base interactions energy: -126.947 where: short stacking energy: -50.904 Base-Backbone interact. energy: -0.273 local terms energy: -59.058755 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -15.600 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -12.067 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: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -171.971329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.971329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.971329 (E_RNA) where: Base-Base interactions energy: -116.748 where: short stacking energy: -54.946 Base-Backbone interact. energy: -0.002 local terms energy: -55.221247 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -4.493 flat angles C4'-P-C4' energy: -14.705 flat angles P-C4'-P energy: -7.688 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: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -81.214379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.214379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.214379 (E_RNA) where: Base-Base interactions energy: -30.660 where: short stacking energy: -30.660 Base-Backbone interact. energy: -0.064 local terms energy: -50.490158 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -7.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -74.811506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.811506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.811506 (E_RNA) where: Base-Base interactions energy: -28.600 where: short stacking energy: -28.600 Base-Backbone interact. energy: -0.257 local terms energy: -45.954396 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -10.798 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -218.005587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.005587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.005587 (E_RNA) where: Base-Base interactions energy: -148.125 where: short stacking energy: -65.990 Base-Backbone interact. energy: -0.100 local terms energy: -69.781164 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -15.093 flat angles P-C4'-P energy: -11.058 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: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -221.310610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.310610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.310610 (E_RNA) where: Base-Base interactions energy: -146.117 where: short stacking energy: -70.887 Base-Backbone interact. energy: -0.244 local terms energy: -74.949174 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -20.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -211.364917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.364917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.364917 (E_RNA) where: Base-Base interactions energy: -139.818 where: short stacking energy: -56.209 Base-Backbone interact. energy: -0.008 local terms energy: -71.538785 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -16.136 flat angles P-C4'-P energy: -11.462 tors. eta vs tors. theta energy: -16.801 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: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -201.792618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.792618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.792618 (E_RNA) where: Base-Base interactions energy: -133.843 where: short stacking energy: -60.354 Base-Backbone interact. energy: -0.073 local terms energy: -67.876298 where: bonds (distance) C4'-P energy: -9.568 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -13.712 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -18.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -203.277069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.277069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.277069 (E_RNA) where: Base-Base interactions energy: -137.921 where: short stacking energy: -52.205 Base-Backbone interact. energy: -0.303 local terms energy: -65.053607 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -13.436 tors. eta vs tors. theta energy: -9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -209.273075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.273075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.273075 (E_RNA) where: Base-Base interactions energy: -145.330 where: short stacking energy: -61.185 Base-Backbone interact. energy: -0.024 local terms energy: -63.918441 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -11.777 flat angles C4'-P-C4' energy: -10.970 flat angles P-C4'-P energy: -12.021 tors. eta vs tors. theta energy: -17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -184.177655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.177655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.177655 (E_RNA) where: Base-Base interactions energy: -129.272 where: short stacking energy: -53.318 Base-Backbone interact. energy: -0.042 local terms energy: -54.863678 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -8.555 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -13.831 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: 376 Temperature: 1.250000 Total energy: -182.603326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.603326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.603326 (E_RNA) where: Base-Base interactions energy: -124.886 where: short stacking energy: -51.177 Base-Backbone interact. energy: -0.026 local terms energy: -57.691771 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -9.205 flat angles P-C4'-P energy: -9.370 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: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -70.966463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.966463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.966463 (E_RNA) where: Base-Base interactions energy: -23.233 where: short stacking energy: -21.798 Base-Backbone interact. energy: -0.023 local terms energy: -47.711025 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -82.460318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.460318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.460318 (E_RNA) where: Base-Base interactions energy: -29.171 where: short stacking energy: -29.171 Base-Backbone interact. energy: -0.106 local terms energy: -53.182997 where: bonds (distance) C4'-P energy: -14.279 bonds (distance) P-C4' energy: -11.341 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -10.247 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -217.074713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.074713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.074713 (E_RNA) where: Base-Base interactions energy: -150.325 where: short stacking energy: -63.688 Base-Backbone interact. energy: -0.417 local terms energy: -66.332178 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -13.345 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -8.961 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: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -212.633817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.633817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.633817 (E_RNA) where: Base-Base interactions energy: -145.505 where: short stacking energy: -65.499 Base-Backbone interact. energy: -0.015 local terms energy: -67.114131 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.893 flat angles P-C4'-P energy: -9.712 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: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -222.911847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.911847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.911847 (E_RNA) where: Base-Base interactions energy: -145.091 where: short stacking energy: -64.317 Base-Backbone interact. energy: -0.002 local terms energy: -77.818686 where: bonds (distance) C4'-P energy: -16.014 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -12.494 tors. eta vs tors. theta energy: -19.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -209.185316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.185316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.185316 (E_RNA) where: Base-Base interactions energy: -141.341 where: short stacking energy: -56.027 Base-Backbone interact. energy: -0.787 local terms energy: -67.057654 where: bonds (distance) C4'-P energy: -11.547 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -14.122 flat angles P-C4'-P energy: -11.513 tors. eta vs tors. theta energy: -17.876 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: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -199.166925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.166925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.166925 (E_RNA) where: Base-Base interactions energy: -140.597 where: short stacking energy: -56.403 Base-Backbone interact. energy: -0.062 local terms energy: -58.507694 where: bonds (distance) C4'-P energy: -10.918 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -13.324 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: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -210.312266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.312266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.312266 (E_RNA) where: Base-Base interactions energy: -146.514 where: short stacking energy: -65.178 Base-Backbone interact. energy: 2.945 local terms energy: -66.743002 where: bonds (distance) C4'-P energy: -15.963 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -13.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -203.866393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.866393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.866393 (E_RNA) where: Base-Base interactions energy: -135.586 where: short stacking energy: -60.753 Base-Backbone interact. energy: -0.414 local terms energy: -67.865613 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -9.755 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: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -191.628389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.628389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.628389 (E_RNA) where: Base-Base interactions energy: -126.528 where: short stacking energy: -48.945 Base-Backbone interact. energy: -0.009 local terms energy: -65.091192 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -15.406 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -11.198 tors. eta vs tors. theta energy: -13.690 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: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -79.226040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.226040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.226040 (E_RNA) where: Base-Base interactions energy: -33.011 where: short stacking energy: -31.814 Base-Backbone interact. energy: -0.281 local terms energy: -45.934212 where: bonds (distance) C4'-P energy: -7.610 bonds (distance) P-C4' energy: -9.820 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -12.586 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: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -65.896859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.896859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.896859 (E_RNA) where: Base-Base interactions energy: -24.239 where: short stacking energy: -21.048 Base-Backbone interact. energy: -0.242 local terms energy: -41.416129 where: bonds (distance) C4'-P energy: -9.100 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: 2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -211.685748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.685748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.685748 (E_RNA) where: Base-Base interactions energy: -149.720 where: short stacking energy: -60.077 Base-Backbone interact. energy: -0.046 local terms energy: -61.919367 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -12.176 flat angles C4'-P-C4' energy: -11.382 flat angles P-C4'-P energy: -9.922 tors. eta vs tors. theta energy: -14.083 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: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -220.773462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.773462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.773462 (E_RNA) where: Base-Base interactions energy: -153.491 where: short stacking energy: -68.564 Base-Backbone interact. energy: -1.804 local terms energy: -65.478522 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -8.162 flat angles C4'-P-C4' energy: -11.880 flat angles P-C4'-P energy: -12.461 tors. eta vs tors. theta energy: -19.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -219.839474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.839474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.839474 (E_RNA) where: Base-Base interactions energy: -154.535 where: short stacking energy: -66.613 Base-Backbone interact. energy: -0.013 local terms energy: -65.291824 where: bonds (distance) C4'-P energy: -12.351 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -7.118 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: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -210.635462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.635462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.635462 (E_RNA) where: Base-Base interactions energy: -140.925 where: short stacking energy: -57.542 Base-Backbone interact. energy: -0.045 local terms energy: -69.665009 where: bonds (distance) C4'-P energy: -16.005 bonds (distance) P-C4' energy: -11.397 flat angles C4'-P-C4' energy: -16.056 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -201.949047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.949047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.949047 (E_RNA) where: Base-Base interactions energy: -135.875 where: short stacking energy: -60.095 Base-Backbone interact. energy: -0.290 local terms energy: -65.784060 where: bonds (distance) C4'-P energy: -8.815 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -9.513 tors. eta vs tors. theta energy: -17.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -201.222439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.222439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.222439 (E_RNA) where: Base-Base interactions energy: -135.029 where: short stacking energy: -55.178 Base-Backbone interact. energy: -0.010 local terms energy: -66.182481 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -11.832 tors. eta vs tors. theta energy: -13.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -200.138997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.138997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.138997 (E_RNA) where: Base-Base interactions energy: -135.850 where: short stacking energy: -61.221 Base-Backbone interact. energy: -0.096 local terms energy: -64.193666 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -11.512 flat angles C4'-P-C4' energy: -11.472 flat angles P-C4'-P energy: -10.223 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: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -198.725435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.725435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.725435 (E_RNA) where: Base-Base interactions energy: -129.288 where: short stacking energy: -58.933 Base-Backbone interact. energy: -0.143 local terms energy: -69.294827 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -10.687 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -21.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -80.028852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.028852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.028852 (E_RNA) where: Base-Base interactions energy: -30.705 where: short stacking energy: -26.464 Base-Backbone interact. energy: -0.085 local terms energy: -49.239100 where: bonds (distance) C4'-P energy: -14.618 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -9.212 tors. eta vs tors. theta energy: -2.341 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: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -72.043951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.043951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.043951 (E_RNA) where: Base-Base interactions energy: -30.039 where: short stacking energy: -30.039 Base-Backbone interact. energy: -0.126 local terms energy: -41.878303 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -12.724 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -1.522 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: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -217.115603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.115603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.115603 (E_RNA) where: Base-Base interactions energy: -144.716 where: short stacking energy: -70.799 Base-Backbone interact. energy: -0.013 local terms energy: -72.386927 where: bonds (distance) C4'-P energy: -15.285 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -9.734 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: 2, replica: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -225.222883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.222883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.222883 (E_RNA) where: Base-Base interactions energy: -148.095 where: short stacking energy: -62.811 Base-Backbone interact. energy: -3.172 local terms energy: -73.956562 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -12.830 tors. eta vs tors. theta energy: -21.108 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: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -213.486318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.486318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.486318 (E_RNA) where: Base-Base interactions energy: -144.261 where: short stacking energy: -60.091 Base-Backbone interact. energy: -0.136 local terms energy: -69.089095 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -20.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -211.755262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.755262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.755262 (E_RNA) where: Base-Base interactions energy: -148.513 where: short stacking energy: -63.356 Base-Backbone interact. energy: -0.145 local terms energy: -63.097107 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -17.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -209.069936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.069936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.069936 (E_RNA) where: Base-Base interactions energy: -142.309 where: short stacking energy: -62.715 Base-Backbone interact. energy: -0.506 local terms energy: -66.254990 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -10.059 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -17.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -201.717263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.717263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.717263 (E_RNA) where: Base-Base interactions energy: -140.750 where: short stacking energy: -59.077 Base-Backbone interact. energy: -0.101 local terms energy: -60.866259 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -12.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -203.902374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.902374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.902374 (E_RNA) where: Base-Base interactions energy: -144.647 where: short stacking energy: -64.041 Base-Backbone interact. energy: -0.566 local terms energy: -58.688838 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -5.381 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: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -162.053895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.053895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.053895 (E_RNA) where: Base-Base interactions energy: -110.023 where: short stacking energy: -53.137 Base-Backbone interact. energy: -0.051 local terms energy: -51.979848 where: bonds (distance) C4'-P energy: -9.986 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -9.799 flat angles P-C4'-P energy: -6.902 tors. eta vs tors. theta energy: -13.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -81.496674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.496674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.496674 (E_RNA) where: Base-Base interactions energy: -41.652 where: short stacking energy: -26.743 Base-Backbone interact. energy: -0.304 local terms energy: -39.540626 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -11.091 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -78.475307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.475307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.475307 (E_RNA) where: Base-Base interactions energy: -32.177 where: short stacking energy: -25.468 Base-Backbone interact. energy: -0.086 local terms energy: -46.212892 where: bonds (distance) C4'-P energy: -10.628 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -10.465 flat angles P-C4'-P energy: -8.973 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: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -218.366746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.366746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.366746 (E_RNA) where: Base-Base interactions energy: -155.200 where: short stacking energy: -68.852 Base-Backbone interact. energy: -0.044 local terms energy: -63.122421 where: bonds (distance) C4'-P energy: -10.623 bonds (distance) P-C4' energy: -9.794 flat angles C4'-P-C4' energy: -14.210 flat angles P-C4'-P energy: -7.670 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: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -213.282248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.282248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.282248 (E_RNA) where: Base-Base interactions energy: -143.351 where: short stacking energy: -61.402 Base-Backbone interact. energy: -0.098 local terms energy: -69.833540 where: bonds (distance) C4'-P energy: -12.167 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -14.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -211.997701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.997701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.997701 (E_RNA) where: Base-Base interactions energy: -142.564 where: short stacking energy: -62.495 Base-Backbone interact. energy: -0.003 local terms energy: -69.430345 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -11.242 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: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -208.844567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.844567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.844567 (E_RNA) where: Base-Base interactions energy: -138.328 where: short stacking energy: -59.386 Base-Backbone interact. energy: -0.009 local terms energy: -70.507638 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -11.312 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: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -207.260222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.260222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.260222 (E_RNA) where: Base-Base interactions energy: -145.684 where: short stacking energy: -64.871 Base-Backbone interact. energy: -1.117 local terms energy: -60.459240 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -9.900 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -6.401 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: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -201.542499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.542499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.542499 (E_RNA) where: Base-Base interactions energy: -137.934 where: short stacking energy: -61.423 Base-Backbone interact. energy: -0.112 local terms energy: -63.496300 where: bonds (distance) C4'-P energy: -9.311 bonds (distance) P-C4' energy: -11.154 flat angles C4'-P-C4' energy: -15.930 flat angles P-C4'-P energy: -8.119 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: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -200.729833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.729833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.729833 (E_RNA) where: Base-Base interactions energy: -138.102 where: short stacking energy: -54.977 Base-Backbone interact. energy: -0.125 local terms energy: -62.502851 where: bonds (distance) C4'-P energy: -11.101 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -8.781 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: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -179.419922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.419922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.419922 (E_RNA) where: Base-Base interactions energy: -126.554 where: short stacking energy: -44.935 Base-Backbone interact. energy: -0.189 local terms energy: -52.677117 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -7.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -76.163307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.163307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.163307 (E_RNA) where: Base-Base interactions energy: -40.853 where: short stacking energy: -20.316 Base-Backbone interact. energy: -0.907 local terms energy: -34.403718 where: bonds (distance) C4'-P energy: -1.794 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -9.544 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -4.841 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: 10, replica: 1 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -80.381884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.381884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.381884 (E_RNA) where: Base-Base interactions energy: -37.460 where: short stacking energy: -30.736 Base-Backbone interact. energy: -0.083 local terms energy: -42.838665 where: bonds (distance) C4'-P energy: -4.641 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -7.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -224.604920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.604920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.604920 (E_RNA) where: Base-Base interactions energy: -151.310 where: short stacking energy: -66.202 Base-Backbone interact. energy: -0.516 local terms energy: -72.778441 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -14.549 flat angles C4'-P-C4' energy: -14.893 flat angles P-C4'-P energy: -11.313 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: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -220.334069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.334069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.334069 (E_RNA) where: Base-Base interactions energy: -147.976 where: short stacking energy: -66.701 Base-Backbone interact. energy: -3.144 local terms energy: -69.214080 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -16.260 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -18.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -212.351184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.351184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.351184 (E_RNA) where: Base-Base interactions energy: -141.063 where: short stacking energy: -60.619 Base-Backbone interact. energy: -0.009 local terms energy: -71.279147 where: bonds (distance) C4'-P energy: -12.554 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -16.133 flat angles P-C4'-P energy: -11.083 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: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -212.301243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.301243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.301243 (E_RNA) where: Base-Base interactions energy: -144.523 where: short stacking energy: -66.111 Base-Backbone interact. energy: -0.938 local terms energy: -66.840467 where: bonds (distance) C4'-P energy: -11.439 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -16.458 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -212.124015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.124015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.124015 (E_RNA) where: Base-Base interactions energy: -145.910 where: short stacking energy: -68.704 Base-Backbone interact. energy: -0.000 local terms energy: -66.214022 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -16.415 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -17.402 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: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -207.607724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.607724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.607724 (E_RNA) where: Base-Base interactions energy: -148.146 where: short stacking energy: -65.407 Base-Backbone interact. energy: -0.058 local terms energy: -59.404125 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -9.148 flat angles P-C4'-P energy: -8.690 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: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -201.557207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.557207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.557207 (E_RNA) where: Base-Base interactions energy: -138.217 where: short stacking energy: -55.017 Base-Backbone interact. energy: -0.333 local terms energy: -63.007345 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -13.133 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: 8, replica: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -189.775708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.775708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.775708 (E_RNA) where: Base-Base interactions energy: -131.022 where: short stacking energy: -53.141 Base-Backbone interact. energy: -0.787 local terms energy: -57.966621 where: bonds (distance) C4'-P energy: -8.160 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -8.140 tors. eta vs tors. theta energy: -13.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -83.928644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.928644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.928644 (E_RNA) where: Base-Base interactions energy: -37.785 where: short stacking energy: -37.785 Base-Backbone interact. energy: -0.002 local terms energy: -46.141335 where: bonds (distance) C4'-P energy: -10.165 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -10.708 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -70.709987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.709987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.709987 (E_RNA) where: Base-Base interactions energy: -27.129 where: short stacking energy: -27.129 Base-Backbone interact. energy: 0.349 local terms energy: -43.930650 where: bonds (distance) C4'-P energy: -9.829 bonds (distance) P-C4' energy: -15.904 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -224.916485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.916485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.916485 (E_RNA) where: Base-Base interactions energy: -148.987 where: short stacking energy: -71.139 Base-Backbone interact. energy: -0.796 local terms energy: -75.134128 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -12.565 tors. eta vs tors. theta energy: -19.665 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: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -218.380692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.380692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.380692 (E_RNA) where: Base-Base interactions energy: -150.206 where: short stacking energy: -67.975 Base-Backbone interact. energy: -0.005 local terms energy: -68.169901 where: bonds (distance) C4'-P energy: -15.671 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -15.531 flat angles P-C4'-P energy: -6.355 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: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -214.380801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.380801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.380801 (E_RNA) where: Base-Base interactions energy: -142.070 where: short stacking energy: -61.153 Base-Backbone interact. energy: -0.256 local terms energy: -72.054771 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -12.138 tors. eta vs tors. theta energy: -19.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -207.820398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.820398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.820398 (E_RNA) where: Base-Base interactions energy: -145.395 where: short stacking energy: -61.415 Base-Backbone interact. energy: -0.002 local terms energy: -62.423918 where: bonds (distance) C4'-P energy: -9.452 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -12.479 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -13.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -207.576495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.576495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.576495 (E_RNA) where: Base-Base interactions energy: -142.857 where: short stacking energy: -64.367 Base-Backbone interact. energy: -0.609 local terms energy: -64.110165 where: bonds (distance) C4'-P energy: -9.495 bonds (distance) P-C4' energy: -16.000 flat angles C4'-P-C4' energy: -15.785 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -18.995 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: 6, replica: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -204.588948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.588948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.588948 (E_RNA) where: Base-Base interactions energy: -139.788 where: short stacking energy: -61.431 Base-Backbone interact. energy: -0.001 local terms energy: -64.799770 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -16.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -190.486488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.486488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.486488 (E_RNA) where: Base-Base interactions energy: -135.648 where: short stacking energy: -60.129 Base-Backbone interact. energy: -0.155 local terms energy: -54.683062 where: bonds (distance) C4'-P energy: -10.554 bonds (distance) P-C4' energy: -15.996 flat angles C4'-P-C4' energy: -10.732 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -14.245 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: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -197.327502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.327502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.327502 (E_RNA) where: Base-Base interactions energy: -140.911 where: short stacking energy: -62.144 Base-Backbone interact. energy: -0.003 local terms energy: -56.413744 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -9.230 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -7.328 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: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -78.915777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.915777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.915777 (E_RNA) where: Base-Base interactions energy: -34.037 where: short stacking energy: -20.671 Base-Backbone interact. energy: -0.965 local terms energy: -43.913669 where: bonds (distance) C4'-P energy: -9.344 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -11.198 tors. eta vs tors. theta energy: 2.051 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: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -71.772913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.772913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.772913 (E_RNA) where: Base-Base interactions energy: -21.402 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.013 local terms energy: -50.358108 where: bonds (distance) C4'-P energy: -9.910 bonds (distance) P-C4' energy: -16.059 flat angles C4'-P-C4' energy: -9.049 flat angles P-C4'-P energy: -9.809 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: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -221.248142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.248142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.248142 (E_RNA) where: Base-Base interactions energy: -149.529 where: short stacking energy: -68.939 Base-Backbone interact. energy: -0.087 local terms energy: -71.632500 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -15.641 flat angles C4'-P-C4' energy: -10.363 flat angles P-C4'-P energy: -10.718 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: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -221.358231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.358231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.358231 (E_RNA) where: Base-Base interactions energy: -149.481 where: short stacking energy: -63.979 Base-Backbone interact. energy: -0.009 local terms energy: -71.868993 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -15.961 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -18.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -215.865937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.865937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.865937 (E_RNA) where: Base-Base interactions energy: -154.916 where: short stacking energy: -73.317 Base-Backbone interact. energy: -0.009 local terms energy: -60.941734 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -18.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -213.141204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.141204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.141204 (E_RNA) where: Base-Base interactions energy: -147.084 where: short stacking energy: -62.536 Base-Backbone interact. energy: 0.389 local terms energy: -66.446253 where: bonds (distance) C4'-P energy: -13.779 bonds (distance) P-C4' energy: -16.111 flat angles C4'-P-C4' energy: -14.088 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -212.976777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.976777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.976777 (E_RNA) where: Base-Base interactions energy: -142.872 where: short stacking energy: -63.350 Base-Backbone interact. energy: -0.041 local terms energy: -70.063543 where: bonds (distance) C4'-P energy: -12.065 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -11.387 tors. eta vs tors. theta energy: -19.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -199.909367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.909367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.909367 (E_RNA) where: Base-Base interactions energy: -136.015 where: short stacking energy: -52.396 Base-Backbone interact. energy: -0.008 local terms energy: -63.885869 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -9.925 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -17.263 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: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -199.179962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.179962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.179962 (E_RNA) where: Base-Base interactions energy: -131.569 where: short stacking energy: -60.235 Base-Backbone interact. energy: -2.629 local terms energy: -64.982205 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -20.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -177.988926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.988926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.988926 (E_RNA) where: Base-Base interactions energy: -127.553 where: short stacking energy: -52.110 Base-Backbone interact. energy: -0.085 local terms energy: -50.350530 where: bonds (distance) C4'-P energy: -10.267 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -16.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -98.239053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.239053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.239053 (E_RNA) where: Base-Base interactions energy: -45.473 where: short stacking energy: -45.473 Base-Backbone interact. energy: -0.005 local terms energy: -52.761052 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -9.139 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -7.096 tors. eta vs tors. theta energy: -15.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -68.379939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.379939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.379939 (E_RNA) where: Base-Base interactions energy: -23.035 where: short stacking energy: -23.035 Base-Backbone interact. energy: 0.932 local terms energy: -46.276728 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -9.933 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -10.787 tors. eta vs tors. theta energy: -0.938 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: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -223.100753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.100753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.100753 (E_RNA) where: Base-Base interactions energy: -148.051 where: short stacking energy: -65.181 Base-Backbone interact. energy: -3.338 local terms energy: -71.712230 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -13.763 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -19.934 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: 2, replica: 2 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -223.633430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.633430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.633430 (E_RNA) where: Base-Base interactions energy: -154.010 where: short stacking energy: -70.246 Base-Backbone interact. energy: -0.000 local terms energy: -69.622691 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -7.300 tors. eta vs tors. theta energy: -21.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -216.765342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.765342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.765342 (E_RNA) where: Base-Base interactions energy: -150.194 where: short stacking energy: -64.039 Base-Backbone interact. energy: -0.181 local terms energy: -66.389799 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -10.741 flat angles P-C4'-P energy: -8.710 tors. eta vs tors. theta energy: -19.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -209.835343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.835343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.835343 (E_RNA) where: Base-Base interactions energy: -141.245 where: short stacking energy: -61.406 Base-Backbone interact. energy: -0.020 local terms energy: -68.571032 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -15.824 flat angles P-C4'-P energy: -12.603 tors. eta vs tors. theta energy: -14.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -204.057902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.057902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.057902 (E_RNA) where: Base-Base interactions energy: -143.464 where: short stacking energy: -60.975 Base-Backbone interact. energy: -0.042 local terms energy: -60.552354 where: bonds (distance) C4'-P energy: -7.690 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -18.459 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: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -209.610502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.610502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.610502 (E_RNA) where: Base-Base interactions energy: -144.588 where: short stacking energy: -64.847 Base-Backbone interact. energy: -0.001 local terms energy: -65.022325 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -4.384 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: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -151.394604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.394604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.394604 (E_RNA) where: Base-Base interactions energy: -103.466 where: short stacking energy: -47.108 Base-Backbone interact. energy: 2.466 local terms energy: -50.394713 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -14.012 flat angles C4'-P-C4' energy: -8.951 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -7.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -170.587993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.587993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.587993 (E_RNA) where: Base-Base interactions energy: -112.681 where: short stacking energy: -51.391 Base-Backbone interact. energy: 0.425 local terms energy: -58.331610 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -8.881 flat angles C4'-P-C4' energy: -16.128 flat angles P-C4'-P energy: -8.408 tors. eta vs tors. theta energy: -14.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -82.135048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.135048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.135048 (E_RNA) where: Base-Base interactions energy: -37.558 where: short stacking energy: -35.190 Base-Backbone interact. energy: -0.002 local terms energy: -44.575645 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -10.339 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -77.558844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.558844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.558844 (E_RNA) where: Base-Base interactions energy: -36.285 where: short stacking energy: -36.285 Base-Backbone interact. energy: -0.207 local terms energy: -41.066257 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -227.348834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.348834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.348834 (E_RNA) where: Base-Base interactions energy: -154.725 where: short stacking energy: -70.289 Base-Backbone interact. energy: -0.589 local terms energy: -72.034078 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -11.707 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -12.494 tors. eta vs tors. theta energy: -18.218 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: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -217.891892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.891892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.891892 (E_RNA) where: Base-Base interactions energy: -148.843 where: short stacking energy: -67.646 Base-Backbone interact. energy: -0.370 local terms energy: -68.678625 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -15.662 flat angles C4'-P-C4' energy: -13.320 flat angles P-C4'-P energy: -8.327 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: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -217.641129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.641129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.641129 (E_RNA) where: Base-Base interactions energy: -147.977 where: short stacking energy: -69.214 Base-Backbone interact. energy: -0.239 local terms energy: -69.425203 where: bonds (distance) C4'-P energy: -9.463 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -15.657 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -21.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -207.893781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.893781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.893781 (E_RNA) where: Base-Base interactions energy: -138.896 where: short stacking energy: -59.091 Base-Backbone interact. energy: -0.017 local terms energy: -68.980729 where: bonds (distance) C4'-P energy: -8.925 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -13.392 tors. eta vs tors. theta energy: -16.274 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: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -211.560707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.560707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.560707 (E_RNA) where: Base-Base interactions energy: -146.508 where: short stacking energy: -67.301 Base-Backbone interact. energy: -0.006 local terms energy: -65.047282 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -5.403 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: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -161.317520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.317520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.317520 (E_RNA) where: Base-Base interactions energy: -102.607 where: short stacking energy: -50.389 Base-Backbone interact. energy: -1.121 local terms energy: -57.590035 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -8.977 tors. eta vs tors. theta energy: -11.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -206.695356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.695356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.695356 (E_RNA) where: Base-Base interactions energy: -139.403 where: short stacking energy: -58.203 Base-Backbone interact. energy: -0.151 local terms energy: -67.141013 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -10.440 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -12.166 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: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -168.136182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.136182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.136182 (E_RNA) where: Base-Base interactions energy: -106.452 where: short stacking energy: -55.289 Base-Backbone interact. energy: -0.185 local terms energy: -61.499419 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -13.769 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: -12.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -79.601091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.601091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.601091 (E_RNA) where: Base-Base interactions energy: -28.420 where: short stacking energy: -28.762 Base-Backbone interact. energy: -0.016 local terms energy: -51.165287 where: bonds (distance) C4'-P energy: -10.697 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -8.690 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -68.993820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.993820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.993820 (E_RNA) where: Base-Base interactions energy: -19.944 where: short stacking energy: -15.580 Base-Backbone interact. energy: -0.791 local terms energy: -48.259037 where: bonds (distance) C4'-P energy: -16.345 bonds (distance) P-C4' energy: -9.626 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: 1.978 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: 6 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -221.299969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.299969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.299969 (E_RNA) where: Base-Base interactions energy: -147.626 where: short stacking energy: -64.751 Base-Backbone interact. energy: -0.486 local terms energy: -73.187955 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -17.407 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -18.334 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: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -218.846644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.846644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.846644 (E_RNA) where: Base-Base interactions energy: -154.177 where: short stacking energy: -68.015 Base-Backbone interact. energy: -0.158 local terms energy: -64.511585 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -11.865 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: -18.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -216.834682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.834682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.834682 (E_RNA) where: Base-Base interactions energy: -153.254 where: short stacking energy: -63.838 Base-Backbone interact. energy: -0.182 local terms energy: -63.399342 where: bonds (distance) C4'-P energy: -10.160 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -17.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -210.270828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.270828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.270828 (E_RNA) where: Base-Base interactions energy: -143.928 where: short stacking energy: -61.454 Base-Backbone interact. energy: -0.067 local terms energy: -66.276043 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -15.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -209.559786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.559786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.559786 (E_RNA) where: Base-Base interactions energy: -146.479 where: short stacking energy: -61.785 Base-Backbone interact. energy: -0.023 local terms energy: -63.058249 where: bonds (distance) C4'-P energy: -9.938 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -6.149 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: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -159.340605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.340605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.340605 (E_RNA) where: Base-Base interactions energy: -100.012 where: short stacking energy: -50.163 Base-Backbone interact. energy: -0.176 local terms energy: -59.152557 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -13.105 flat angles C4'-P-C4' energy: -12.881 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -12.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -195.590114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.590114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.590114 (E_RNA) where: Base-Base interactions energy: -130.914 where: short stacking energy: -53.186 Base-Backbone interact. energy: -0.013 local terms energy: -64.662222 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -17.566 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -12.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -164.072050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.072050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.072050 (E_RNA) where: Base-Base interactions energy: -112.284 where: short stacking energy: -55.023 Base-Backbone interact. energy: -0.162 local terms energy: -51.625184 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -11.797 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -12.184 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: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -83.685512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.685512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.685512 (E_RNA) where: Base-Base interactions energy: -31.616 where: short stacking energy: -30.784 Base-Backbone interact. energy: -0.026 local terms energy: -52.043079 where: bonds (distance) C4'-P energy: -9.944 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -8.484 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: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -76.830219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.830219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.830219 (E_RNA) where: Base-Base interactions energy: -28.318 where: short stacking energy: -28.318 Base-Backbone interact. energy: -0.062 local terms energy: -48.450133 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -6.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -219.634415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.634415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.634415 (E_RNA) where: Base-Base interactions energy: -147.084 where: short stacking energy: -61.129 Base-Backbone interact. energy: -0.196 local terms energy: -72.354343 where: bonds (distance) C4'-P energy: -15.070 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -19.478 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: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -223.165225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.165225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.165225 (E_RNA) where: Base-Base interactions energy: -147.464 where: short stacking energy: -67.669 Base-Backbone interact. energy: -0.046 local terms energy: -75.655346 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -16.168 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -19.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -211.620115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.620115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.620115 (E_RNA) where: Base-Base interactions energy: -140.483 where: short stacking energy: -58.740 Base-Backbone interact. energy: -0.599 local terms energy: -70.538078 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -16.226 flat angles P-C4'-P energy: -11.149 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: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -208.859057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.859057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.859057 (E_RNA) where: Base-Base interactions energy: -143.219 where: short stacking energy: -59.829 Base-Backbone interact. energy: -0.588 local terms energy: -65.052154 where: bonds (distance) C4'-P energy: -14.805 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -11.404 flat angles P-C4'-P energy: -11.571 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: 5, replica: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -203.951786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.951786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.951786 (E_RNA) where: Base-Base interactions energy: -140.627 where: short stacking energy: -56.549 Base-Backbone interact. energy: -0.052 local terms energy: -63.272860 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: -17.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -199.592423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.592423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.592423 (E_RNA) where: Base-Base interactions energy: -139.689 where: short stacking energy: -62.498 Base-Backbone interact. energy: -0.100 local terms energy: -59.803242 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -9.627 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -11.018 tors. eta vs tors. theta energy: -16.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -164.926108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.926108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.926108 (E_RNA) where: Base-Base interactions energy: -109.662 where: short stacking energy: -48.137 Base-Backbone interact. energy: -0.111 local terms energy: -55.153296 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -5.678 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: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -162.268149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.268149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.268149 (E_RNA) where: Base-Base interactions energy: -104.425 where: short stacking energy: -47.609 Base-Backbone interact. energy: -0.309 local terms energy: -57.533956 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -14.872 flat angles P-C4'-P energy: -8.788 tors. eta vs tors. theta energy: -12.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -71.360303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.360303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.360303 (E_RNA) where: Base-Base interactions energy: -27.227 where: short stacking energy: -27.184 Base-Backbone interact. energy: -0.213 local terms energy: -43.920505 where: bonds (distance) C4'-P energy: -9.510 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: 0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -66.400102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.400102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.400102 (E_RNA) where: Base-Base interactions energy: -22.230 where: short stacking energy: -19.313 Base-Backbone interact. energy: -1.018 local terms energy: -43.152034 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -15.074 flat angles C4'-P-C4' energy: -9.946 flat angles P-C4'-P energy: -9.532 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: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -229.947558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.947558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.947558 (E_RNA) where: Base-Base interactions energy: -151.379 where: short stacking energy: -64.861 Base-Backbone interact. energy: -0.023 local terms energy: -78.545526 where: bonds (distance) C4'-P energy: -15.599 bonds (distance) P-C4' energy: -16.140 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -12.344 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: 388 Temperature: 0.950000 Total energy: -220.380014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.380014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.380014 (E_RNA) where: Base-Base interactions energy: -145.978 where: short stacking energy: -65.804 Base-Backbone interact. energy: -0.721 local terms energy: -73.680579 where: bonds (distance) C4'-P energy: -16.022 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -18.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -216.704161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.704161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.704161 (E_RNA) where: Base-Base interactions energy: -146.584 where: short stacking energy: -63.783 Base-Backbone interact. energy: 1.106 local terms energy: -71.225417 where: bonds (distance) C4'-P energy: -10.973 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -14.969 flat angles P-C4'-P energy: -10.828 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: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -205.444232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.444232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.444232 (E_RNA) where: Base-Base interactions energy: -135.711 where: short stacking energy: -60.513 Base-Backbone interact. energy: -0.017 local terms energy: -69.716211 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -13.684 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -17.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -206.542825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.542825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.542825 (E_RNA) where: Base-Base interactions energy: -141.022 where: short stacking energy: -62.724 Base-Backbone interact. energy: -0.821 local terms energy: -64.699739 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -12.208 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -17.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -201.183348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.183348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.183348 (E_RNA) where: Base-Base interactions energy: -135.882 where: short stacking energy: -59.613 Base-Backbone interact. energy: -0.162 local terms energy: -65.138674 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -15.731 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -15.617 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: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -189.542494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.542494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.542494 (E_RNA) where: Base-Base interactions energy: -135.572 where: short stacking energy: -54.800 Base-Backbone interact. energy: -0.163 local terms energy: -53.807716 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -10.055 flat angles C4'-P-C4' energy: -10.324 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: -14.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -195.398335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.398335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.398335 (E_RNA) where: Base-Base interactions energy: -132.312 where: short stacking energy: -53.307 Base-Backbone interact. energy: -1.317 local terms energy: -61.770080 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -10.343 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -12.110 tors. eta vs tors. theta energy: -12.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -76.960551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.960551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.960551 (E_RNA) where: Base-Base interactions energy: -33.956 where: short stacking energy: -22.485 Base-Backbone interact. energy: -0.111 local terms energy: -42.893476 where: bonds (distance) C4'-P energy: -11.476 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: 3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -68.289803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.289803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.289803 (E_RNA) where: Base-Base interactions energy: -25.445 where: short stacking energy: -22.969 Base-Backbone interact. energy: -0.042 local terms energy: -42.802679 where: bonds (distance) C4'-P energy: -9.713 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -9.145 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -220.386644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.386644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.386644 (E_RNA) where: Base-Base interactions energy: -149.262 where: short stacking energy: -66.718 Base-Backbone interact. energy: -0.580 local terms energy: -70.544359 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -9.008 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: 2, replica: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -219.942578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.942578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.942578 (E_RNA) where: Base-Base interactions energy: -153.145 where: short stacking energy: -64.839 Base-Backbone interact. energy: -0.347 local terms energy: -66.450020 where: bonds (distance) C4'-P energy: -10.648 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -12.537 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: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -211.246878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.246878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.246878 (E_RNA) where: Base-Base interactions energy: -142.006 where: short stacking energy: -60.558 Base-Backbone interact. energy: -0.018 local terms energy: -69.223423 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -13.114 tors. eta vs tors. theta energy: -16.070 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: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -200.319868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.319868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.319868 (E_RNA) where: Base-Base interactions energy: -140.126 where: short stacking energy: -60.154 Base-Backbone interact. energy: 1.091 local terms energy: -61.284608 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -12.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -202.658853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.658853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.658853 (E_RNA) where: Base-Base interactions energy: -137.744 where: short stacking energy: -56.510 Base-Backbone interact. energy: 0.153 local terms energy: -65.067262 where: bonds (distance) C4'-P energy: -8.601 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -8.431 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: 6, replica: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -203.079604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.079604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.079604 (E_RNA) where: Base-Base interactions energy: -142.037 where: short stacking energy: -64.936 Base-Backbone interact. energy: -0.833 local terms energy: -60.209489 where: bonds (distance) C4'-P energy: -7.132 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -17.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -200.998472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.998472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.998472 (E_RNA) where: Base-Base interactions energy: -140.356 where: short stacking energy: -58.388 Base-Backbone interact. energy: -0.047 local terms energy: -60.595138 where: bonds (distance) C4'-P energy: -13.663 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -12.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -197.891300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.891300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.891300 (E_RNA) where: Base-Base interactions energy: -130.433 where: short stacking energy: -55.983 Base-Backbone interact. energy: -0.067 local terms energy: -67.391151 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -18.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -67.882584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.882584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.882584 (E_RNA) where: Base-Base interactions energy: -22.042 where: short stacking energy: -22.042 Base-Backbone interact. energy: -0.035 local terms energy: -45.805701 where: bonds (distance) C4'-P energy: -10.085 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -1.604 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: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -79.809278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.809278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.809278 (E_RNA) where: Base-Base interactions energy: -34.933 where: short stacking energy: -24.784 Base-Backbone interact. energy: -0.235 local terms energy: -44.641828 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -10.733 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -209.226581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.226581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.226581 (E_RNA) where: Base-Base interactions energy: -144.992 where: short stacking energy: -62.909 Base-Backbone interact. energy: -0.026 local terms energy: -64.208348 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -14.065 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -7.714 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: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -217.381276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.381276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.381276 (E_RNA) where: Base-Base interactions energy: -149.269 where: short stacking energy: -66.992 Base-Backbone interact. energy: -0.078 local terms energy: -68.034457 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -15.175 flat angles P-C4'-P energy: -9.448 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: 3, replica: 10 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -211.112828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.112828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.112828 (E_RNA) where: Base-Base interactions energy: -147.297 where: short stacking energy: -59.331 Base-Backbone interact. energy: -0.069 local terms energy: -63.746787 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -12.779 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: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -208.929643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.929643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.929643 (E_RNA) where: Base-Base interactions energy: -144.952 where: short stacking energy: -65.203 Base-Backbone interact. energy: -0.072 local terms energy: -63.905380 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -8.223 flat angles C4'-P-C4' energy: -15.427 flat angles P-C4'-P energy: -10.228 tors. eta vs tors. theta energy: -17.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -215.018550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.018550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.018550 (E_RNA) where: Base-Base interactions energy: -146.503 where: short stacking energy: -64.130 Base-Backbone interact. energy: -0.009 local terms energy: -68.506707 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -12.481 tors. eta vs tors. theta energy: -17.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -191.603528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.603528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.603528 (E_RNA) where: Base-Base interactions energy: -127.580 where: short stacking energy: -56.047 Base-Backbone interact. energy: -0.090 local terms energy: -63.933442 where: bonds (distance) C4'-P energy: -12.446 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -13.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -194.418910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.418910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.418910 (E_RNA) where: Base-Base interactions energy: -133.450 where: short stacking energy: -54.935 Base-Backbone interact. energy: -0.119 local terms energy: -60.850252 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -8.732 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -14.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -193.754142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.754142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.754142 (E_RNA) where: Base-Base interactions energy: -139.285 where: short stacking energy: -59.884 Base-Backbone interact. energy: -0.006 local terms energy: -54.463659 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -8.719 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -9.442 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: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -80.355145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.355145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.355145 (E_RNA) where: Base-Base interactions energy: -26.208 where: short stacking energy: -26.208 Base-Backbone interact. energy: -0.274 local terms energy: -53.872786 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -10.253 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -2.779 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: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -72.507687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.507687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.507687 (E_RNA) where: Base-Base interactions energy: -35.691 where: short stacking energy: -31.593 Base-Backbone interact. energy: -0.136 local terms energy: -36.680083 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -219.301316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.301316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.301316 (E_RNA) where: Base-Base interactions energy: -146.724 where: short stacking energy: -66.251 Base-Backbone interact. energy: -0.002 local terms energy: -72.574488 where: bonds (distance) C4'-P energy: -16.229 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -10.246 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: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -212.245929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.245929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.245929 (E_RNA) where: Base-Base interactions energy: -145.920 where: short stacking energy: -61.319 Base-Backbone interact. energy: -0.005 local terms energy: -66.320655 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -15.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -216.496833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.496833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.496833 (E_RNA) where: Base-Base interactions energy: -147.309 where: short stacking energy: -64.608 Base-Backbone interact. energy: -0.002 local terms energy: -69.186655 where: bonds (distance) C4'-P energy: -10.321 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -19.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -220.111565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.111565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.111565 (E_RNA) where: Base-Base interactions energy: -148.319 where: short stacking energy: -63.628 Base-Backbone interact. energy: -0.126 local terms energy: -71.666555 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -12.481 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -10.338 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: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -198.784971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.784971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.784971 (E_RNA) where: Base-Base interactions energy: -141.164 where: short stacking energy: -55.785 Base-Backbone interact. energy: -0.428 local terms energy: -57.193837 where: bonds (distance) C4'-P energy: -8.529 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -14.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -203.467832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.467832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.467832 (E_RNA) where: Base-Base interactions energy: -145.618 where: short stacking energy: -62.120 Base-Backbone interact. energy: -0.702 local terms energy: -57.147242 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -9.104 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -15.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -201.663107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.663107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.663107 (E_RNA) where: Base-Base interactions energy: -138.100 where: short stacking energy: -54.484 Base-Backbone interact. energy: -0.081 local terms energy: -63.481429 where: bonds (distance) C4'-P energy: -9.691 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -8.160 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: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -193.658228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.658228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.658228 (E_RNA) where: Base-Base interactions energy: -136.673 where: short stacking energy: -53.698 Base-Backbone interact. energy: -0.297 local terms energy: -56.688243 where: bonds (distance) C4'-P energy: -10.085 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -13.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -83.864091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.864091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.864091 (E_RNA) where: Base-Base interactions energy: -38.177 where: short stacking energy: -38.177 Base-Backbone interact. energy: -0.100 local terms energy: -45.587100 where: bonds (distance) C4'-P energy: -9.927 bonds (distance) P-C4' energy: -11.658 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -77.327737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.327737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.327737 (E_RNA) where: Base-Base interactions energy: -29.576 where: short stacking energy: -27.834 Base-Backbone interact. energy: -0.333 local terms energy: -47.418407 where: bonds (distance) C4'-P energy: -8.292 bonds (distance) P-C4' energy: -11.770 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -6.502 tors. eta vs tors. theta energy: -8.756 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: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -217.690258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.690258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.690258 (E_RNA) where: Base-Base interactions energy: -145.330 where: short stacking energy: -59.503 Base-Backbone interact. energy: -0.705 local terms energy: -71.655271 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -10.037 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: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -209.707947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.707947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.707947 (E_RNA) where: Base-Base interactions energy: -138.784 where: short stacking energy: -60.782 Base-Backbone interact. energy: -0.102 local terms energy: -70.822311 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -12.558 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -12.236 tors. eta vs tors. theta energy: -16.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -217.526732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.526732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.526732 (E_RNA) where: Base-Base interactions energy: -145.677 where: short stacking energy: -64.056 Base-Backbone interact. energy: -2.662 local terms energy: -69.188528 where: bonds (distance) C4'-P energy: -11.828 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -8.675 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: 4, replica: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -205.526145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.526145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.526145 (E_RNA) where: Base-Base interactions energy: -141.813 where: short stacking energy: -58.566 Base-Backbone interact. energy: -0.012 local terms energy: -63.701173 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -10.592 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -15.706 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: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -198.884916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.884916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.884916 (E_RNA) where: Base-Base interactions energy: -140.094 where: short stacking energy: -57.645 Base-Backbone interact. energy: -0.705 local terms energy: -58.085914 where: bonds (distance) C4'-P energy: -8.814 bonds (distance) P-C4' energy: -10.868 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -14.528 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: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -210.839016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.839016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.839016 (E_RNA) where: Base-Base interactions energy: -142.672 where: short stacking energy: -58.889 Base-Backbone interact. energy: -0.023 local terms energy: -68.143348 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -12.226 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: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -191.432137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.432137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.432137 (E_RNA) where: Base-Base interactions energy: -129.897 where: short stacking energy: -50.712 Base-Backbone interact. energy: -0.377 local terms energy: -61.158071 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -11.841 tors. eta vs tors. theta energy: -9.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -191.604768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.604768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.604768 (E_RNA) where: Base-Base interactions energy: -135.683 where: short stacking energy: -57.597 Base-Backbone interact. energy: -0.780 local terms energy: -55.142566 where: bonds (distance) C4'-P energy: -10.139 bonds (distance) P-C4' energy: -7.695 flat angles C4'-P-C4' energy: -14.401 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -15.007 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: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -96.538408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.538408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.538408 (E_RNA) where: Base-Base interactions energy: -37.597 where: short stacking energy: -28.072 Base-Backbone interact. energy: -1.020 local terms energy: -57.920810 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -12.412 tors. eta vs tors. theta energy: -4.726 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: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -74.823937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.823937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.823937 (E_RNA) where: Base-Base interactions energy: -31.782 where: short stacking energy: -26.223 Base-Backbone interact. energy: -0.311 local terms energy: -42.730579 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -8.353 flat angles C4'-P-C4' energy: -9.152 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -3.309 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: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -222.556718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.556718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.556718 (E_RNA) where: Base-Base interactions energy: -152.593 where: short stacking energy: -65.352 Base-Backbone interact. energy: -0.012 local terms energy: -69.951810 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -13.513 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -19.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -217.805786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.805786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.805786 (E_RNA) where: Base-Base interactions energy: -149.940 where: short stacking energy: -63.851 Base-Backbone interact. energy: -0.229 local terms energy: -67.636999 where: bonds (distance) C4'-P energy: -13.885 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -11.626 flat angles P-C4'-P energy: -10.316 tors. eta vs tors. theta energy: -18.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -216.809103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.809103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.809103 (E_RNA) where: Base-Base interactions energy: -142.757 where: short stacking energy: -64.169 Base-Backbone interact. energy: -0.003 local terms energy: -74.048602 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -15.900 flat angles P-C4'-P energy: -11.615 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: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -211.077252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.077252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.077252 (E_RNA) where: Base-Base interactions energy: -145.445 where: short stacking energy: -62.596 Base-Backbone interact. energy: -0.001 local terms energy: -65.631218 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -10.904 flat angles P-C4'-P energy: -8.459 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: 5, replica: 8 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -203.441082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.441082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.441082 (E_RNA) where: Base-Base interactions energy: -144.068 where: short stacking energy: -65.770 Base-Backbone interact. energy: -0.032 local terms energy: -59.341018 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -8.629 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: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -204.418097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.418097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.418097 (E_RNA) where: Base-Base interactions energy: -134.698 where: short stacking energy: -60.355 Base-Backbone interact. energy: -0.092 local terms energy: -69.628461 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -16.051 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: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -165.396111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.396111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.396111 (E_RNA) where: Base-Base interactions energy: -104.320 where: short stacking energy: -53.796 Base-Backbone interact. energy: -0.015 local terms energy: -61.060624 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -12.255 flat angles C4'-P-C4' energy: -10.921 flat angles P-C4'-P energy: -8.402 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: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -74.956366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.956366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.956366 (E_RNA) where: Base-Base interactions energy: -30.556 where: short stacking energy: -28.834 Base-Backbone interact. energy: -0.044 local terms energy: -44.356302 where: bonds (distance) C4'-P energy: -8.180 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -1.454 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: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -205.841541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.841541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.841541 (E_RNA) where: Base-Base interactions energy: -141.492 where: short stacking energy: -64.860 Base-Backbone interact. energy: -0.577 local terms energy: -63.773333 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -7.779 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -19.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -72.930003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.930003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.930003 (E_RNA) where: Base-Base interactions energy: -26.988 where: short stacking energy: -26.988 Base-Backbone interact. energy: -0.081 local terms energy: -45.860568 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -11.170 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -7.680 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: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -222.405468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.405468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.405468 (E_RNA) where: Base-Base interactions energy: -147.187 where: short stacking energy: -66.503 Base-Backbone interact. energy: -0.576 local terms energy: -74.642897 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -11.564 tors. eta vs tors. theta energy: -20.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -217.742110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.742110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.742110 (E_RNA) where: Base-Base interactions energy: -138.611 where: short stacking energy: -57.672 Base-Backbone interact. energy: -0.737 local terms energy: -78.394146 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -11.967 tors. eta vs tors. theta energy: -20.222 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: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -217.155469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.155469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.155469 (E_RNA) where: Base-Base interactions energy: -151.978 where: short stacking energy: -56.081 Base-Backbone interact. energy: -0.416 local terms energy: -64.761047 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: -15.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -217.940113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.940113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.940113 (E_RNA) where: Base-Base interactions energy: -141.414 where: short stacking energy: -59.539 Base-Backbone interact. energy: -0.097 local terms energy: -76.428179 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -14.854 flat angles P-C4'-P energy: -12.533 tors. eta vs tors. theta energy: -19.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -209.220176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.220176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.220176 (E_RNA) where: Base-Base interactions energy: -142.697 where: short stacking energy: -60.513 Base-Backbone interact. energy: -0.635 local terms energy: -65.888533 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -7.531 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: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -196.307052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.307052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.307052 (E_RNA) where: Base-Base interactions energy: -131.626 where: short stacking energy: -53.343 Base-Backbone interact. energy: -0.401 local terms energy: -64.279710 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -10.591 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: 7, replica: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -192.484645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.484645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.484645 (E_RNA) where: Base-Base interactions energy: -130.635 where: short stacking energy: -49.778 Base-Backbone interact. energy: -0.177 local terms energy: -61.672504 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -10.766 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -14.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -84.548391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.548391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.548391 (E_RNA) where: Base-Base interactions energy: -35.977 where: short stacking energy: -35.977 Base-Backbone interact. energy: -0.043 local terms energy: -48.527639 where: bonds (distance) C4'-P energy: -11.402 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -7.184 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: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -174.687477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.687477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.687477 (E_RNA) where: Base-Base interactions energy: -117.212 where: short stacking energy: -53.532 Base-Backbone interact. energy: -0.020 local terms energy: -57.454597 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -7.904 tors. eta vs tors. theta energy: -16.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -77.482078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.482078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.482078 (E_RNA) where: Base-Base interactions energy: -27.461 where: short stacking energy: -25.251 Base-Backbone interact. energy: -0.135 local terms energy: -49.886320 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -8.067 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: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -222.626624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.626624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.626624 (E_RNA) where: Base-Base interactions energy: -148.708 where: short stacking energy: -65.702 Base-Backbone interact. energy: -0.031 local terms energy: -73.887859 where: bonds (distance) C4'-P energy: -16.337 bonds (distance) P-C4' energy: -13.326 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -20.240 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: 395 Temperature: 0.950000 Total energy: -221.522424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.522424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.522424 (E_RNA) where: Base-Base interactions energy: -149.094 where: short stacking energy: -64.654 Base-Backbone interact. energy: -0.001 local terms energy: -72.427616 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -14.053 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -12.548 tors. eta vs tors. theta energy: -20.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -217.113560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.113560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.113560 (E_RNA) where: Base-Base interactions energy: -142.700 where: short stacking energy: -63.865 Base-Backbone interact. energy: -0.002 local terms energy: -74.411581 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -20.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -213.923440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.923440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.923440 (E_RNA) where: Base-Base interactions energy: -147.988 where: short stacking energy: -65.099 Base-Backbone interact. energy: -0.215 local terms energy: -65.720359 where: bonds (distance) C4'-P energy: -8.292 bonds (distance) P-C4' energy: -12.399 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -13.370 tors. eta vs tors. theta energy: -17.835 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -201.002878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.002878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.002878 (E_RNA) where: Base-Base interactions energy: -139.860 where: short stacking energy: -62.730 Base-Backbone interact. energy: -0.385 local terms energy: -60.757507 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -10.266 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -15.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -196.421420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.421420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.421420 (E_RNA) where: Base-Base interactions energy: -137.588 where: short stacking energy: -55.537 Base-Backbone interact. energy: -0.004 local terms energy: -58.829887 where: bonds (distance) C4'-P energy: -11.468 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -9.907 flat angles P-C4'-P energy: -7.384 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: 8 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -194.576976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.576976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.576976 (E_RNA) where: Base-Base interactions energy: -125.811 where: short stacking energy: -54.951 Base-Backbone interact. energy: 1.108 local terms energy: -69.874418 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -16.683 flat angles C4'-P-C4' energy: -15.292 flat angles P-C4'-P energy: -9.588 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: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -170.826944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.826944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.826944 (E_RNA) where: Base-Base interactions energy: -114.774 where: short stacking energy: -50.737 Base-Backbone interact. energy: -0.062 local terms energy: -55.991035 where: bonds (distance) C4'-P energy: -14.424 bonds (distance) P-C4' energy: -9.859 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -12.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -79.487517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.487517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.487517 (E_RNA) where: Base-Base interactions energy: -31.400 where: short stacking energy: -31.400 Base-Backbone interact. energy: -0.019 local terms energy: -48.068018 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -9.943 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -5.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -75.234990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.234990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.234990 (E_RNA) where: Base-Base interactions energy: -30.467 where: short stacking energy: -30.467 Base-Backbone interact. energy: -0.129 local terms energy: -44.638912 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -11.385 flat angles C4'-P-C4' energy: -10.637 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -1.367 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: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -222.519876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.519876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.519876 (E_RNA) where: Base-Base interactions energy: -152.847 where: short stacking energy: -69.281 Base-Backbone interact. energy: -0.006 local terms energy: -69.666692 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -9.744 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: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -222.986338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.986338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.986338 (E_RNA) where: Base-Base interactions energy: -148.988 where: short stacking energy: -60.870 Base-Backbone interact. energy: -0.050 local terms energy: -73.948425 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -13.887 tors. eta vs tors. theta energy: -15.910 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: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -213.061095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.061095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.061095 (E_RNA) where: Base-Base interactions energy: -146.593 where: short stacking energy: -67.532 Base-Backbone interact. energy: -0.011 local terms energy: -66.457496 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -9.758 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: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -211.367903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.367903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.367903 (E_RNA) where: Base-Base interactions energy: -147.675 where: short stacking energy: -65.840 Base-Backbone interact. energy: -0.758 local terms energy: -62.934886 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -10.239 flat angles P-C4'-P energy: -7.409 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: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -199.287140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.287140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.287140 (E_RNA) where: Base-Base interactions energy: -142.402 where: short stacking energy: -54.800 Base-Backbone interact. energy: -0.275 local terms energy: -56.610282 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -11.104 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -8.289 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: 396 Temperature: 1.150000 Total energy: -207.098205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.098205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.098205 (E_RNA) where: Base-Base interactions energy: -146.322 where: short stacking energy: -61.728 Base-Backbone interact. energy: -0.074 local terms energy: -60.702665 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -15.236 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -7.161 tors. eta vs tors. theta energy: -15.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -194.594989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.594989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.594989 (E_RNA) where: Base-Base interactions energy: -138.009 where: short stacking energy: -57.874 Base-Backbone interact. energy: -0.148 local terms energy: -56.438452 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -11.133 flat angles C4'-P-C4' energy: -11.798 flat angles P-C4'-P energy: -7.529 tors. eta vs tors. theta energy: -14.202 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: 396 Temperature: 1.250000 Total energy: -166.730034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.730034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.730034 (E_RNA) where: Base-Base interactions energy: -109.991 where: short stacking energy: -52.358 Base-Backbone interact. energy: -0.219 local terms energy: -56.519961 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -13.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -77.346303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.346303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.346303 (E_RNA) where: Base-Base interactions energy: -31.233 where: short stacking energy: -19.950 Base-Backbone interact. energy: -0.101 local terms energy: -46.012225 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: 2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -77.127756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.127756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.127756 (E_RNA) where: Base-Base interactions energy: -30.603 where: short stacking energy: -28.997 Base-Backbone interact. energy: -0.099 local terms energy: -46.425721 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -8.705 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -227.133678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.133678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.133678 (E_RNA) where: Base-Base interactions energy: -155.124 where: short stacking energy: -71.010 Base-Backbone interact. energy: -0.722 local terms energy: -71.287130 where: bonds (distance) C4'-P energy: -11.774 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -10.127 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: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -219.955425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.955425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.955425 (E_RNA) where: Base-Base interactions energy: -151.970 where: short stacking energy: -63.964 Base-Backbone interact. energy: -0.060 local terms energy: -67.925764 where: bonds (distance) C4'-P energy: -9.100 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -15.719 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -19.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -211.941341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.941341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.941341 (E_RNA) where: Base-Base interactions energy: -143.990 where: short stacking energy: -60.750 Base-Backbone interact. energy: -0.218 local terms energy: -67.733635 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -12.153 tors. eta vs tors. theta energy: -17.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -209.989481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.989481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.989481 (E_RNA) where: Base-Base interactions energy: -139.792 where: short stacking energy: -59.858 Base-Backbone interact. energy: -0.074 local terms energy: -70.123902 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -9.693 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: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -204.127803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.127803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.127803 (E_RNA) where: Base-Base interactions energy: -136.206 where: short stacking energy: -55.147 Base-Backbone interact. energy: -0.104 local terms energy: -67.817710 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -11.965 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: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -199.379119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.379119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.379119 (E_RNA) where: Base-Base interactions energy: -138.623 where: short stacking energy: -58.911 Base-Backbone interact. energy: -0.012 local terms energy: -60.744859 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -17.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -200.315470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.315470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.315470 (E_RNA) where: Base-Base interactions energy: -128.514 where: short stacking energy: -54.383 Base-Backbone interact. energy: -0.014 local terms energy: -71.787008 where: bonds (distance) C4'-P energy: -15.144 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -15.070 flat angles P-C4'-P energy: -10.817 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: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -167.685280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.685280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.685280 (E_RNA) where: Base-Base interactions energy: -115.899 where: short stacking energy: -52.522 Base-Backbone interact. energy: 0.013 local terms energy: -51.799395 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -7.535 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -13.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -76.532706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.532706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.532706 (E_RNA) where: Base-Base interactions energy: -28.208 where: short stacking energy: -28.208 Base-Backbone interact. energy: -0.085 local terms energy: -48.239074 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -12.375 flat angles C4'-P-C4' energy: -9.784 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -6.440 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: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -81.070331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.070331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.070331 (E_RNA) where: Base-Base interactions energy: -34.292 where: short stacking energy: -32.067 Base-Backbone interact. energy: -0.162 local terms energy: -46.617146 where: bonds (distance) C4'-P energy: -9.854 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -9.380 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -223.442474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.442474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.442474 (E_RNA) where: Base-Base interactions energy: -150.950 where: short stacking energy: -66.932 Base-Backbone interact. energy: -0.131 local terms energy: -72.361170 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -11.985 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: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -221.812214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.812214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.812214 (E_RNA) where: Base-Base interactions energy: -151.818 where: short stacking energy: -68.301 Base-Backbone interact. energy: -0.218 local terms energy: -69.776862 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -20.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -219.011194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.011194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.011194 (E_RNA) where: Base-Base interactions energy: -151.764 where: short stacking energy: -65.281 Base-Backbone interact. energy: -0.297 local terms energy: -66.950211 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -17.900 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: 4, replica: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -213.596959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.596959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.596959 (E_RNA) where: Base-Base interactions energy: -142.043 where: short stacking energy: -59.112 Base-Backbone interact. energy: -0.157 local terms energy: -71.396918 where: bonds (distance) C4'-P energy: -15.155 bonds (distance) P-C4' energy: -14.683 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -19.153 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: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -206.138475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.138475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.138475 (E_RNA) where: Base-Base interactions energy: -142.276 where: short stacking energy: -66.078 Base-Backbone interact. energy: -0.102 local terms energy: -63.760447 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -10.270 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -7.362 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: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -196.809874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.809874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.809874 (E_RNA) where: Base-Base interactions energy: -131.160 where: short stacking energy: -57.707 Base-Backbone interact. energy: 0.014 local terms energy: -65.663635 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: -16.757 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: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -191.595874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.595874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.595874 (E_RNA) where: Base-Base interactions energy: -130.026 where: short stacking energy: -53.500 Base-Backbone interact. energy: -0.062 local terms energy: -61.507862 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -10.044 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -9.621 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: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -195.726226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.726226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.726226 (E_RNA) where: Base-Base interactions energy: -131.122 where: short stacking energy: -55.495 Base-Backbone interact. energy: -0.068 local terms energy: -64.536336 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -11.478 tors. eta vs tors. theta energy: -16.179 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: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -89.419424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.419424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.419424 (E_RNA) where: Base-Base interactions energy: -33.532 where: short stacking energy: -27.477 Base-Backbone interact. energy: -0.397 local terms energy: -55.491250 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -75.632511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.632511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.632511 (E_RNA) where: Base-Base interactions energy: -24.478 where: short stacking energy: -24.478 Base-Backbone interact. energy: -0.043 local terms energy: -51.111603 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -10.518 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: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -221.866342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.866342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.866342 (E_RNA) where: Base-Base interactions energy: -142.998 where: short stacking energy: -60.971 Base-Backbone interact. energy: -2.763 local terms energy: -76.106226 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -12.750 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: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -215.781198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.781198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.781198 (E_RNA) where: Base-Base interactions energy: -147.423 where: short stacking energy: -63.658 Base-Backbone interact. energy: -0.065 local terms energy: -68.292795 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -12.654 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: 399 Temperature: 1.000000 Total energy: -210.752643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.752643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.752643 (E_RNA) where: Base-Base interactions energy: -144.803 where: short stacking energy: -62.230 Base-Backbone interact. energy: 0.762 local terms energy: -66.711993 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -17.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -205.628802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.628802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.628802 (E_RNA) where: Base-Base interactions energy: -136.809 where: short stacking energy: -56.498 Base-Backbone interact. energy: -0.477 local terms energy: -68.342972 where: bonds (distance) C4'-P energy: -14.652 bonds (distance) P-C4' energy: -12.626 flat angles C4'-P-C4' energy: -16.077 flat angles P-C4'-P energy: -9.285 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: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -217.537145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.537145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.537145 (E_RNA) where: Base-Base interactions energy: -150.405 where: short stacking energy: -66.230 Base-Backbone interact. energy: -0.355 local terms energy: -66.776733 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -8.671 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: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -201.680720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.680720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.680720 (E_RNA) where: Base-Base interactions energy: -140.484 where: short stacking energy: -56.875 Base-Backbone interact. energy: -0.344 local terms energy: -60.852950 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -14.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -200.560621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.560621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.560621 (E_RNA) where: Base-Base interactions energy: -133.702 where: short stacking energy: -56.633 Base-Backbone interact. energy: -0.002 local terms energy: -66.857257 where: bonds (distance) C4'-P energy: -11.443 bonds (distance) P-C4' energy: -13.502 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -11.817 tors. eta vs tors. theta energy: -17.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -188.374974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.374974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.374974 (E_RNA) where: Base-Base interactions energy: -137.375 where: short stacking energy: -58.100 Base-Backbone interact. energy: 0.744 local terms energy: -51.743958 where: bonds (distance) C4'-P energy: -8.493 bonds (distance) P-C4' energy: -10.610 flat angles C4'-P-C4' energy: -10.199 flat angles P-C4'-P energy: -9.304 tors. eta vs tors. theta energy: -13.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -73.545934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.545934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.545934 (E_RNA) where: Base-Base interactions energy: -25.033 where: short stacking energy: -22.256 Base-Backbone interact. energy: -0.655 local terms energy: -47.857519 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: 2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -82.357172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.357172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.357172 (E_RNA) where: Base-Base interactions energy: -32.336 where: short stacking energy: -31.210 Base-Backbone interact. energy: -0.209 local terms energy: -49.812136 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -16.052 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -3.614 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: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -219.079929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.079929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.079929 (E_RNA) where: Base-Base interactions energy: -149.897 where: short stacking energy: -68.647 Base-Backbone interact. energy: 0.526 local terms energy: -69.709443 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -14.573 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -17.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -216.583261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.583261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.583261 (E_RNA) where: Base-Base interactions energy: -143.232 where: short stacking energy: -60.614 Base-Backbone interact. energy: -0.001 local terms energy: -73.350820 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -16.157 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -11.697 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: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -213.553460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.553460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.553460 (E_RNA) where: Base-Base interactions energy: -140.974 where: short stacking energy: -54.388 Base-Backbone interact. energy: -0.033 local terms energy: -72.546298 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -10.955 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: 4, replica: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -214.811073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.811073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.811073 (E_RNA) where: Base-Base interactions energy: -146.609 where: short stacking energy: -66.122 Base-Backbone interact. energy: -0.111 local terms energy: -68.091723 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -13.125 flat angles C4'-P-C4' energy: -16.610 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -19.998 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: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -202.690869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.690869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.690869 (E_RNA) where: Base-Base interactions energy: -132.564 where: short stacking energy: -61.815 Base-Backbone interact. energy: -0.019 local terms energy: -70.107742 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -8.964 tors. eta vs tors. theta energy: -17.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -205.428275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.428275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.428275 (E_RNA) where: Base-Base interactions energy: -134.772 where: short stacking energy: -62.172 Base-Backbone interact. energy: -0.087 local terms energy: -70.569348 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -16.993 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: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -187.194682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.194682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.194682 (E_RNA) where: Base-Base interactions energy: -132.953 where: short stacking energy: -57.196 Base-Backbone interact. energy: -0.142 local terms energy: -54.099802 where: bonds (distance) C4'-P energy: -8.563 bonds (distance) P-C4' energy: -7.401 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -14.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -194.563248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.563248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.563248 (E_RNA) where: Base-Base interactions energy: -132.914 where: short stacking energy: -62.169 Base-Backbone interact. energy: -0.005 local terms energy: -61.643573 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -13.749 flat angles C4'-P-C4' energy: -13.301 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -17.199 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: 400 Temperature: 1.300000 Total energy: -74.048595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.048595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.048595 (E_RNA) where: Base-Base interactions energy: -31.686 where: short stacking energy: -31.686 Base-Backbone interact. energy: -0.081 local terms energy: -42.282087 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -10.803 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: 0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -78.399490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.399490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.399490 (E_RNA) where: Base-Base interactions energy: -28.335 where: short stacking energy: -28.335 Base-Backbone interact. energy: -0.721 local terms energy: -49.343262 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -7.651 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: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -218.806831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.806831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.806831 (E_RNA) where: Base-Base interactions energy: -147.634 where: short stacking energy: -60.839 Base-Backbone interact. energy: -0.590 local terms energy: -70.582688 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -16.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -222.648470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.648470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.648470 (E_RNA) where: Base-Base interactions energy: -149.604 where: short stacking energy: -63.849 Base-Backbone interact. energy: -0.965 local terms energy: -72.079916 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -16.926 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -11.075 tors. eta vs tors. theta energy: -19.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -213.611653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.611653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.611653 (E_RNA) where: Base-Base interactions energy: -147.247 where: short stacking energy: -66.670 Base-Backbone interact. energy: -0.038 local terms energy: -66.326983 where: bonds (distance) C4'-P energy: -9.560 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -15.475 flat angles P-C4'-P energy: -12.809 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: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -209.939272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.939272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.939272 (E_RNA) where: Base-Base interactions energy: -145.914 where: short stacking energy: -56.635 Base-Backbone interact. energy: -0.439 local terms energy: -63.585599 where: bonds (distance) C4'-P energy: -8.143 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -14.760 flat angles P-C4'-P energy: -11.342 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: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -208.230975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.230975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.230975 (E_RNA) where: Base-Base interactions energy: -139.039 where: short stacking energy: -58.662 Base-Backbone interact. energy: -0.371 local terms energy: -68.821650 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -15.369 flat angles P-C4'-P energy: -8.674 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: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -204.185768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.185768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.185768 (E_RNA) where: Base-Base interactions energy: -141.171 where: short stacking energy: -65.768 Base-Backbone interact. energy: -0.450 local terms energy: -62.565308 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -18.043 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: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -203.389418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.389418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.389418 (E_RNA) where: Base-Base interactions energy: -140.399 where: short stacking energy: -61.588 Base-Backbone interact. energy: 0.405 local terms energy: -63.395275 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -14.685 flat angles C4'-P-C4' energy: -11.160 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -18.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -85.294981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.294981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.294981 (E_RNA) where: Base-Base interactions energy: -35.856 where: short stacking energy: -35.856 Base-Backbone interact. energy: -0.009 local terms energy: -49.429847 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -5.899 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: 9, replica: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -167.559507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.559507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.559507 (E_RNA) where: Base-Base interactions energy: -109.301 where: short stacking energy: -46.260 Base-Backbone interact. energy: -0.084 local terms energy: -58.174427 where: bonds (distance) C4'-P energy: -10.549 bonds (distance) P-C4' energy: -10.095 flat angles C4'-P-C4' energy: -16.896 flat angles P-C4'-P energy: -9.458 tors. eta vs tors. theta energy: -11.177 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: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -77.819876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.819876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.819876 (E_RNA) where: Base-Base interactions energy: -33.963 where: short stacking energy: -26.385 Base-Backbone interact. energy: 2.545 local terms energy: -46.402518 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -223.671931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.671931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.671931 (E_RNA) where: Base-Base interactions energy: -151.387 where: short stacking energy: -67.322 Base-Backbone interact. energy: -1.064 local terms energy: -71.220292 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -15.536 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -19.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -217.132755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.132755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.132755 (E_RNA) where: Base-Base interactions energy: -147.655 where: short stacking energy: -68.536 Base-Backbone interact. energy: -0.209 local terms energy: -69.268823 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -10.879 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: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -214.703807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.703807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.703807 (E_RNA) where: Base-Base interactions energy: -144.396 where: short stacking energy: -63.105 Base-Backbone interact. energy: -0.475 local terms energy: -69.832016 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -10.851 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -12.681 tors. eta vs tors. theta energy: -15.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -206.867166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.867166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.867166 (E_RNA) where: Base-Base interactions energy: -141.247 where: short stacking energy: -60.567 Base-Backbone interact. energy: -0.003 local terms energy: -65.616342 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -14.379 flat angles C4'-P-C4' energy: -11.272 flat angles P-C4'-P energy: -11.353 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: 402 Temperature: 1.100000 Total energy: -215.125740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.125740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.125740 (E_RNA) where: Base-Base interactions energy: -141.267 where: short stacking energy: -62.863 Base-Backbone interact. energy: -0.048 local terms energy: -73.811258 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -11.535 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: 6, replica: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -208.602391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.602391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.602391 (E_RNA) where: Base-Base interactions energy: -143.799 where: short stacking energy: -63.761 Base-Backbone interact. energy: -0.008 local terms energy: -64.795524 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -11.989 tors. eta vs tors. theta energy: -17.103 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: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -201.679575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.679575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.679575 (E_RNA) where: Base-Base interactions energy: -139.287 where: short stacking energy: -58.134 Base-Backbone interact. energy: -0.642 local terms energy: -61.750790 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -9.493 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: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -75.858646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.858646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.858646 (E_RNA) where: Base-Base interactions energy: -29.295 where: short stacking energy: -21.534 Base-Backbone interact. energy: -0.056 local terms energy: -46.508176 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -11.183 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -8.777 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: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -81.567520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.567520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.567520 (E_RNA) where: Base-Base interactions energy: -36.561 where: short stacking energy: -27.285 Base-Backbone interact. energy: -0.022 local terms energy: -44.984333 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -12.155 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -155.115532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.115532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.115532 (E_RNA) where: Base-Base interactions energy: -101.444 where: short stacking energy: -45.353 Base-Backbone interact. energy: -0.019 local terms energy: -53.652344 where: bonds (distance) C4'-P energy: -10.868 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -13.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -219.980144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.980144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.980144 (E_RNA) where: Base-Base interactions energy: -148.957 where: short stacking energy: -61.225 Base-Backbone interact. energy: -0.656 local terms energy: -70.366701 where: bonds (distance) C4'-P energy: -15.695 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -15.241 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -15.617 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: 403 Temperature: 0.950000 Total energy: -216.442925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.442925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.442925 (E_RNA) where: Base-Base interactions energy: -145.625 where: short stacking energy: -62.345 Base-Backbone interact. energy: 0.744 local terms energy: -71.562130 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -12.556 tors. eta vs tors. theta energy: -18.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -216.283085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.283085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.283085 (E_RNA) where: Base-Base interactions energy: -144.117 where: short stacking energy: -63.158 Base-Backbone interact. energy: -0.079 local terms energy: -72.086797 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -18.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -213.485392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.485392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.485392 (E_RNA) where: Base-Base interactions energy: -147.117 where: short stacking energy: -65.399 Base-Backbone interact. energy: -0.022 local terms energy: -66.347111 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -8.971 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -9.640 tors. eta vs tors. theta energy: -19.274 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: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -206.907769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.907769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.907769 (E_RNA) where: Base-Base interactions energy: -144.025 where: short stacking energy: -56.368 Base-Backbone interact. energy: -1.053 local terms energy: -61.829791 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -12.865 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -14.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -199.943705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.943705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.943705 (E_RNA) where: Base-Base interactions energy: -138.093 where: short stacking energy: -56.116 Base-Backbone interact. energy: -0.590 local terms energy: -61.261215 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -7.229 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: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -199.904016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.904016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.904016 (E_RNA) where: Base-Base interactions energy: -146.739 where: short stacking energy: -55.877 Base-Backbone interact. energy: -0.122 local terms energy: -53.043077 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -9.473 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -95.494960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.494960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.494960 (E_RNA) where: Base-Base interactions energy: -41.280 where: short stacking energy: -40.119 Base-Backbone interact. energy: 1.079 local terms energy: -55.294087 where: bonds (distance) C4'-P energy: -8.183 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -14.788 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -11.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -75.965751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.965751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.965751 (E_RNA) where: Base-Base interactions energy: -27.791 where: short stacking energy: -27.791 Base-Backbone interact. energy: -0.092 local terms energy: -48.082304 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -1.970 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: 5 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -149.565632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.565632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.565632 (E_RNA) where: Base-Base interactions energy: -99.199 where: short stacking energy: -42.539 Base-Backbone interact. energy: 0.454 local terms energy: -50.821372 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -9.290 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -9.980 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: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -219.372779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.372779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.372779 (E_RNA) where: Base-Base interactions energy: -153.724 where: short stacking energy: -69.389 Base-Backbone interact. energy: -0.047 local terms energy: -65.601484 where: bonds (distance) C4'-P energy: -14.739 bonds (distance) P-C4' energy: -8.443 flat angles C4'-P-C4' energy: -12.672 flat angles P-C4'-P energy: -10.004 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: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -219.543968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.543968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.543968 (E_RNA) where: Base-Base interactions energy: -145.295 where: short stacking energy: -64.352 Base-Backbone interact. energy: -0.000 local terms energy: -74.249167 where: bonds (distance) C4'-P energy: -15.919 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -11.952 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: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -217.551160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.551160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.551160 (E_RNA) where: Base-Base interactions energy: -145.420 where: short stacking energy: -66.699 Base-Backbone interact. energy: -1.905 local terms energy: -70.226288 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -14.489 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -10.893 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: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -204.491363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.491363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.491363 (E_RNA) where: Base-Base interactions energy: -140.679 where: short stacking energy: -61.865 Base-Backbone interact. energy: -0.392 local terms energy: -63.420162 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -9.779 flat angles P-C4'-P energy: -7.742 tors. eta vs tors. theta energy: -15.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -200.725101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.725101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.725101 (E_RNA) where: Base-Base interactions energy: -138.396 where: short stacking energy: -53.878 Base-Backbone interact. energy: -0.056 local terms energy: -62.273726 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -15.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -211.001338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.001338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.001338 (E_RNA) where: Base-Base interactions energy: -148.497 where: short stacking energy: -59.903 Base-Backbone interact. energy: -0.763 local terms energy: -61.741083 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -9.758 flat angles C4'-P-C4' energy: -12.433 flat angles P-C4'-P energy: -10.723 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: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -202.365560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.365560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.365560 (E_RNA) where: Base-Base interactions energy: -141.911 where: short stacking energy: -64.525 Base-Backbone interact. energy: -0.782 local terms energy: -59.672630 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -8.769 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: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -81.802034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.802034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.802034 (E_RNA) where: Base-Base interactions energy: -36.917 where: short stacking energy: -36.917 Base-Backbone interact. energy: 0.219 local terms energy: -45.103411 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -6.110 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -5.253 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: 9, replica: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -143.691040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.691040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.691040 (E_RNA) where: Base-Base interactions energy: -89.469 where: short stacking energy: -42.703 Base-Backbone interact. energy: -0.260 local terms energy: -53.962757 where: bonds (distance) C4'-P energy: -12.354 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -14.546 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -9.597 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: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -70.733168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.733168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.733168 (E_RNA) where: Base-Base interactions energy: -19.989 where: short stacking energy: -15.199 Base-Backbone interact. energy: -0.231 local terms energy: -50.513978 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -12.460 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: 2.463 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: 405 Temperature: 0.900000 Total energy: -224.392726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.392726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.392726 (E_RNA) where: Base-Base interactions energy: -149.143 where: short stacking energy: -67.217 Base-Backbone interact. energy: -0.026 local terms energy: -75.223181 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -14.510 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -9.935 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: 2, replica: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -220.249478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.249478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.249478 (E_RNA) where: Base-Base interactions energy: -148.912 where: short stacking energy: -69.332 Base-Backbone interact. energy: -0.077 local terms energy: -71.260243 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -10.612 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: 3, replica: 8 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -219.432007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.432007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.432007 (E_RNA) where: Base-Base interactions energy: -148.607 where: short stacking energy: -68.687 Base-Backbone interact. energy: 0.387 local terms energy: -71.211536 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -20.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -215.672167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.672167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.672167 (E_RNA) where: Base-Base interactions energy: -151.095 where: short stacking energy: -64.717 Base-Backbone interact. energy: -0.082 local terms energy: -64.495034 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -11.954 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -19.667 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: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -211.022471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.022471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.022471 (E_RNA) where: Base-Base interactions energy: -138.461 where: short stacking energy: -56.042 Base-Backbone interact. energy: -1.111 local terms energy: -71.450085 where: bonds (distance) C4'-P energy: -12.044 bonds (distance) P-C4' energy: -16.686 flat angles C4'-P-C4' energy: -14.647 flat angles P-C4'-P energy: -12.036 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: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -201.260699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.260699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.260699 (E_RNA) where: Base-Base interactions energy: -134.205 where: short stacking energy: -59.803 Base-Backbone interact. energy: -0.009 local terms energy: -67.047103 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -14.028 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -11.058 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: 7, replica: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -191.760284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.760284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.760284 (E_RNA) where: Base-Base interactions energy: -134.837 where: short stacking energy: -54.137 Base-Backbone interact. energy: -0.696 local terms energy: -56.226547 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -10.625 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -12.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -161.051674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.051674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.051674 (E_RNA) where: Base-Base interactions energy: -110.316 where: short stacking energy: -44.091 Base-Backbone interact. energy: -0.041 local terms energy: -50.694748 where: bonds (distance) C4'-P energy: -11.390 bonds (distance) P-C4' energy: -11.637 flat angles C4'-P-C4' energy: -10.423 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -9.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -69.042169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.042169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.042169 (E_RNA) where: Base-Base interactions energy: -25.557 where: short stacking energy: -25.557 Base-Backbone interact. energy: -0.251 local terms energy: -43.234631 where: bonds (distance) C4'-P energy: -11.009 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -75.758122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.758122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.758122 (E_RNA) where: Base-Base interactions energy: -29.890 where: short stacking energy: -29.890 Base-Backbone interact. energy: -0.070 local terms energy: -45.798315 where: bonds (distance) C4'-P energy: -15.529 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: 0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -213.785717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.785717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.785717 (E_RNA) where: Base-Base interactions energy: -145.369 where: short stacking energy: -62.250 Base-Backbone interact. energy: -0.630 local terms energy: -67.787155 where: bonds (distance) C4'-P energy: -13.149 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -14.189 flat angles P-C4'-P energy: -10.829 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: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -219.237372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.237372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.237372 (E_RNA) where: Base-Base interactions energy: -152.730 where: short stacking energy: -66.402 Base-Backbone interact. energy: -0.695 local terms energy: -65.813254 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -11.722 flat angles C4'-P-C4' energy: -14.501 flat angles P-C4'-P energy: -9.085 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: 3, replica: 2 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -213.056500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.056500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.056500 (E_RNA) where: Base-Base interactions energy: -147.877 where: short stacking energy: -56.238 Base-Backbone interact. energy: -0.052 local terms energy: -65.128192 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -11.345 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: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -213.090953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.090953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.090953 (E_RNA) where: Base-Base interactions energy: -142.388 where: short stacking energy: -66.221 Base-Backbone interact. energy: -1.593 local terms energy: -69.109941 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -10.894 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -9.968 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: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -205.119722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.119722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.119722 (E_RNA) where: Base-Base interactions energy: -144.817 where: short stacking energy: -66.206 Base-Backbone interact. energy: -0.301 local terms energy: -60.001233 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -10.289 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -7.038 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: 6, replica: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -197.958785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.958785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.958785 (E_RNA) where: Base-Base interactions energy: -131.235 where: short stacking energy: -56.537 Base-Backbone interact. energy: -0.092 local terms energy: -66.632516 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -14.959 flat angles P-C4'-P energy: -11.689 tors. eta vs tors. theta energy: -14.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -199.965140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.965140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.965140 (E_RNA) where: Base-Base interactions energy: -139.914 where: short stacking energy: -56.582 Base-Backbone interact. energy: -0.165 local terms energy: -59.886212 where: bonds (distance) C4'-P energy: -5.118 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -17.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -193.097291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.097291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.097291 (E_RNA) where: Base-Base interactions energy: -136.666 where: short stacking energy: -52.625 Base-Backbone interact. energy: -0.104 local terms energy: -56.327288 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -12.385 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -10.225 tors. eta vs tors. theta energy: -12.622 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: 406 Temperature: 1.300000 Total energy: -77.667819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.667819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.667819 (E_RNA) where: Base-Base interactions energy: -34.503 where: short stacking energy: -34.503 Base-Backbone interact. energy: -0.289 local terms energy: -42.876420 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -10.293 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -74.167620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.167620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.167620 (E_RNA) where: Base-Base interactions energy: -24.404 where: short stacking energy: -24.404 Base-Backbone interact. energy: -0.044 local terms energy: -49.719538 where: bonds (distance) C4'-P energy: -12.113 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -3.810 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: 407 Temperature: 0.900000 Total energy: -218.295619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.295619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.295619 (E_RNA) where: Base-Base interactions energy: -146.732 where: short stacking energy: -64.191 Base-Backbone interact. energy: -0.632 local terms energy: -70.931492 where: bonds (distance) C4'-P energy: -15.526 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -13.049 tors. eta vs tors. theta energy: -14.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -215.266418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.266418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.266418 (E_RNA) where: Base-Base interactions energy: -147.053 where: short stacking energy: -59.929 Base-Backbone interact. energy: -0.904 local terms energy: -67.308969 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -13.795 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -8.982 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: 3, replica: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -217.951911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.951911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.951911 (E_RNA) where: Base-Base interactions energy: -144.545 where: short stacking energy: -62.227 Base-Backbone interact. energy: -0.001 local terms energy: -73.405933 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -12.173 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: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -212.565313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.565313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.565313 (E_RNA) where: Base-Base interactions energy: -144.412 where: short stacking energy: -62.889 Base-Backbone interact. energy: -0.593 local terms energy: -67.560139 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -10.754 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: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -207.114154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.114154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.114154 (E_RNA) where: Base-Base interactions energy: -141.929 where: short stacking energy: -58.073 Base-Backbone interact. energy: -0.101 local terms energy: -65.084511 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -10.357 flat angles P-C4'-P energy: -11.077 tors. eta vs tors. theta energy: -16.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -199.332930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.332930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.332930 (E_RNA) where: Base-Base interactions energy: -142.429 where: short stacking energy: -60.679 Base-Backbone interact. energy: -0.048 local terms energy: -56.856202 where: bonds (distance) C4'-P energy: -6.810 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -9.855 flat angles P-C4'-P energy: -12.734 tors. eta vs tors. theta energy: -14.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -192.411427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.411427 (E_RNA) where: Base-Base interactions energy: -131.518 where: short stacking energy: -57.061 Base-Backbone interact. energy: -0.004 local terms energy: -60.888675 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -12.458 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: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -197.964474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.964474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.964474 (E_RNA) where: Base-Base interactions energy: -134.375 where: short stacking energy: -58.473 Base-Backbone interact. energy: -0.084 local terms energy: -63.505832 where: bonds (distance) C4'-P energy: -9.033 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -15.042 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -18.415 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: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -79.612283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.612283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.612283 (E_RNA) where: Base-Base interactions energy: -38.239 where: short stacking energy: -32.839 Base-Backbone interact. energy: -0.399 local terms energy: -40.973791 where: bonds (distance) C4'-P energy: -10.272 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -9.127 tors. eta vs tors. theta energy: -1.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -66.212818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.212818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.212818 (E_RNA) where: Base-Base interactions energy: -17.592 where: short stacking energy: -15.707 Base-Backbone interact. energy: 0.188 local terms energy: -48.808632 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -13.150 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -222.626586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.626586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.626586 (E_RNA) where: Base-Base interactions energy: -158.025 where: short stacking energy: -63.541 Base-Backbone interact. energy: -0.368 local terms energy: -64.232937 where: bonds (distance) C4'-P energy: -10.160 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -9.191 tors. eta vs tors. theta energy: -16.614 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: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -215.594058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.594058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.594058 (E_RNA) where: Base-Base interactions energy: -144.684 where: short stacking energy: -67.555 Base-Backbone interact. energy: -0.157 local terms energy: -70.753595 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -19.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -210.512228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.512228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.512228 (E_RNA) where: Base-Base interactions energy: -146.246 where: short stacking energy: -64.329 Base-Backbone interact. energy: -0.002 local terms energy: -64.264076 where: bonds (distance) C4'-P energy: -9.448 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -16.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -203.517108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.517108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.517108 (E_RNA) where: Base-Base interactions energy: -142.139 where: short stacking energy: -60.371 Base-Backbone interact. energy: -0.198 local terms energy: -61.180205 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -6.355 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: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -203.201171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.201171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.201171 (E_RNA) where: Base-Base interactions energy: -130.523 where: short stacking energy: -59.812 Base-Backbone interact. energy: -0.026 local terms energy: -72.651900 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -10.500 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: 6, replica: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -206.233696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.233696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.233696 (E_RNA) where: Base-Base interactions energy: -144.862 where: short stacking energy: -63.790 Base-Backbone interact. energy: -0.199 local terms energy: -61.172261 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: -18.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -198.863516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.863516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.863516 (E_RNA) where: Base-Base interactions energy: -135.432 where: short stacking energy: -55.055 Base-Backbone interact. energy: -0.017 local terms energy: -63.414574 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -17.133 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: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -196.035584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.035584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.035584 (E_RNA) where: Base-Base interactions energy: -133.588 where: short stacking energy: -58.237 Base-Backbone interact. energy: -0.023 local terms energy: -62.424186 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -9.843 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: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -82.941046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.941046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.941046 (E_RNA) where: Base-Base interactions energy: -41.276 where: short stacking energy: -30.979 Base-Backbone interact. energy: -0.097 local terms energy: -41.567998 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -9.831 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -73.808372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.808372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.808372 (E_RNA) where: Base-Base interactions energy: -34.120 where: short stacking energy: -25.890 Base-Backbone interact. energy: -0.282 local terms energy: -39.406502 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -14.525 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -7.431 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: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -219.371211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.371211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.371211 (E_RNA) where: Base-Base interactions energy: -149.220 where: short stacking energy: -61.796 Base-Backbone interact. energy: -0.104 local terms energy: -70.047437 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -11.078 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: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -221.885734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.885734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.885734 (E_RNA) where: Base-Base interactions energy: -154.620 where: short stacking energy: -69.930 Base-Backbone interact. energy: -0.073 local terms energy: -67.192239 where: bonds (distance) C4'-P energy: -12.450 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -11.164 flat angles P-C4'-P energy: -10.115 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: 409 Temperature: 1.000000 Total energy: -217.848206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.848206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.848206 (E_RNA) where: Base-Base interactions energy: -142.986 where: short stacking energy: -64.232 Base-Backbone interact. energy: -0.026 local terms energy: -74.835953 where: bonds (distance) C4'-P energy: -14.987 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -16.227 flat angles P-C4'-P energy: -12.395 tors. eta vs tors. theta energy: -17.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -213.794071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.794071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.794071 (E_RNA) where: Base-Base interactions energy: -149.652 where: short stacking energy: -63.952 Base-Backbone interact. energy: -0.401 local terms energy: -63.740684 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -10.459 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -18.266 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: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -201.573889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.573889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.573889 (E_RNA) where: Base-Base interactions energy: -133.364 where: short stacking energy: -58.261 Base-Backbone interact. energy: -0.577 local terms energy: -67.632403 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -16.874 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: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -204.076258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.076258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.076258 (E_RNA) where: Base-Base interactions energy: -144.717 where: short stacking energy: -63.559 Base-Backbone interact. energy: -0.006 local terms energy: -59.353133 where: bonds (distance) C4'-P energy: -11.750 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -15.348 flat angles P-C4'-P energy: -5.271 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: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -207.373243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.373243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.373243 (E_RNA) where: Base-Base interactions energy: -142.158 where: short stacking energy: -60.084 Base-Backbone interact. energy: -0.220 local terms energy: -64.995590 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -8.042 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: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -158.651900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.651900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.651900 (E_RNA) where: Base-Base interactions energy: -106.563 where: short stacking energy: -46.769 Base-Backbone interact. energy: 0.359 local terms energy: -52.447458 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -10.085 tors. eta vs tors. theta energy: -7.980 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: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -72.779654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.779654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.779654 (E_RNA) where: Base-Base interactions energy: -27.171 where: short stacking energy: -26.182 Base-Backbone interact. energy: -0.226 local terms energy: -45.383067 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -76.952186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.952186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.952186 (E_RNA) where: Base-Base interactions energy: -29.537 where: short stacking energy: -27.905 Base-Backbone interact. energy: -0.189 local terms energy: -47.225898 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -13.009 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -223.388093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.388093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.388093 (E_RNA) where: Base-Base interactions energy: -152.245 where: short stacking energy: -63.705 Base-Backbone interact. energy: -0.374 local terms energy: -70.768889 where: bonds (distance) C4'-P energy: -11.377 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -15.509 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -18.504 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: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -222.003534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.003534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.003534 (E_RNA) where: Base-Base interactions energy: -147.741 where: short stacking energy: -65.504 Base-Backbone interact. energy: -0.078 local terms energy: -74.184978 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -15.538 flat angles P-C4'-P energy: -11.616 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: 3, replica: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -211.825081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.825081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.825081 (E_RNA) where: Base-Base interactions energy: -142.757 where: short stacking energy: -54.337 Base-Backbone interact. energy: -0.497 local terms energy: -68.571019 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -16.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -204.850622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.850622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.850622 (E_RNA) where: Base-Base interactions energy: -137.550 where: short stacking energy: -58.015 Base-Backbone interact. energy: -0.111 local terms energy: -67.190049 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -12.435 tors. eta vs tors. theta energy: -12.474 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: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -197.687644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.687644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.687644 (E_RNA) where: Base-Base interactions energy: -132.238 where: short stacking energy: -61.775 Base-Backbone interact. energy: -0.349 local terms energy: -65.100721 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -9.699 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: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -206.349051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.349051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.349051 (E_RNA) where: Base-Base interactions energy: -138.946 where: short stacking energy: -58.735 Base-Backbone interact. energy: -0.709 local terms energy: -66.693797 where: bonds (distance) C4'-P energy: -14.491 bonds (distance) P-C4' energy: -11.307 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -11.650 tors. eta vs tors. theta energy: -13.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -200.483259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.483259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.483259 (E_RNA) where: Base-Base interactions energy: -134.668 where: short stacking energy: -64.720 Base-Backbone interact. energy: -0.000 local terms energy: -65.815006 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -4.781 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: 410 Temperature: 1.250000 Total energy: -191.945550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.945550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.945550 (E_RNA) where: Base-Base interactions energy: -132.555 where: short stacking energy: -49.198 Base-Backbone interact. energy: -0.417 local terms energy: -58.974113 where: bonds (distance) C4'-P energy: -9.034 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -9.645 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: 9, replica: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -84.644309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.644309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.644309 (E_RNA) where: Base-Base interactions energy: -31.077 where: short stacking energy: -29.827 Base-Backbone interact. energy: -0.189 local terms energy: -53.378357 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -13.947 flat angles C4'-P-C4' energy: -11.183 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -80.645627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.645627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.645627 (E_RNA) where: Base-Base interactions energy: -35.095 where: short stacking energy: -22.156 Base-Backbone interact. energy: -0.369 local terms energy: -45.181073 where: bonds (distance) C4'-P energy: -9.877 bonds (distance) P-C4' energy: -12.509 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -5.773 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: 411 Temperature: 0.900000 Total energy: -221.174778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.174778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.174778 (E_RNA) where: Base-Base interactions energy: -151.672 where: short stacking energy: -68.340 Base-Backbone interact. energy: -0.085 local terms energy: -69.417708 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -11.356 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: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -216.694931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.694931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.694931 (E_RNA) where: Base-Base interactions energy: -148.524 where: short stacking energy: -61.342 Base-Backbone interact. energy: -0.256 local terms energy: -67.915023 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -10.409 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -10.469 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: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -217.191955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.191955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.191955 (E_RNA) where: Base-Base interactions energy: -145.554 where: short stacking energy: -67.665 Base-Backbone interact. energy: -0.314 local terms energy: -71.323504 where: bonds (distance) C4'-P energy: -11.041 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -11.365 tors. eta vs tors. theta energy: -20.391 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: 4, replica: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -214.543716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.543716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.543716 (E_RNA) where: Base-Base interactions energy: -144.249 where: short stacking energy: -63.637 Base-Backbone interact. energy: -0.032 local terms energy: -70.262282 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -12.679 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -205.864945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.864945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.864945 (E_RNA) where: Base-Base interactions energy: -145.988 where: short stacking energy: -60.701 Base-Backbone interact. energy: -0.595 local terms energy: -59.281408 where: bonds (distance) C4'-P energy: -8.943 bonds (distance) P-C4' energy: -8.932 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -11.082 tors. eta vs tors. theta energy: -16.730 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: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -209.692376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.692376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.692376 (E_RNA) where: Base-Base interactions energy: -142.547 where: short stacking energy: -65.180 Base-Backbone interact. energy: -0.550 local terms energy: -66.594623 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -9.073 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: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -202.458058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.458058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.458058 (E_RNA) where: Base-Base interactions energy: -134.829 where: short stacking energy: -55.041 Base-Backbone interact. energy: -0.002 local terms energy: -67.626829 where: bonds (distance) C4'-P energy: -9.410 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -12.466 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: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -192.068624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.068624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.068624 (E_RNA) where: Base-Base interactions energy: -138.890 where: short stacking energy: -49.946 Base-Backbone interact. energy: -0.693 local terms energy: -52.485516 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -11.498 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -11.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -78.494392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.494392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.494392 (E_RNA) where: Base-Base interactions energy: -31.750 where: short stacking energy: -31.750 Base-Backbone interact. energy: 0.054 local terms energy: -46.798191 where: bonds (distance) C4'-P energy: -10.934 bonds (distance) P-C4' energy: -12.779 flat angles C4'-P-C4' energy: -10.501 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -76.964143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.964143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.964143 (E_RNA) where: Base-Base interactions energy: -30.337 where: short stacking energy: -25.156 Base-Backbone interact. energy: 0.408 local terms energy: -47.034866 where: bonds (distance) C4'-P energy: -9.832 bonds (distance) P-C4' energy: -13.267 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -10.256 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: 1, replica: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -222.459223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.459223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.459223 (E_RNA) where: Base-Base interactions energy: -157.599 where: short stacking energy: -65.544 Base-Backbone interact. energy: -0.050 local terms energy: -64.810106 where: bonds (distance) C4'-P energy: -11.262 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -17.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -215.692613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.692613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.692613 (E_RNA) where: Base-Base interactions energy: -147.056 where: short stacking energy: -63.412 Base-Backbone interact. energy: -0.389 local terms energy: -68.247517 where: bonds (distance) C4'-P energy: -16.283 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -15.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -209.826113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.826113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.826113 (E_RNA) where: Base-Base interactions energy: -143.641 where: short stacking energy: -62.927 Base-Backbone interact. energy: -1.598 local terms energy: -64.586368 where: bonds (distance) C4'-P energy: -12.142 bonds (distance) P-C4' energy: -13.570 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -11.370 tors. eta vs tors. theta energy: -16.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -204.646686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.646686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.646686 (E_RNA) where: Base-Base interactions energy: -133.406 where: short stacking energy: -54.482 Base-Backbone interact. energy: 0.128 local terms energy: -71.368160 where: bonds (distance) C4'-P energy: -14.954 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -15.564 flat angles P-C4'-P energy: -9.312 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: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -213.935981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.935981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.935981 (E_RNA) where: Base-Base interactions energy: -149.038 where: short stacking energy: -66.776 Base-Backbone interact. energy: -0.747 local terms energy: -64.151297 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -16.011 flat angles P-C4'-P energy: -8.541 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: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -206.180157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.180157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.180157 (E_RNA) where: Base-Base interactions energy: -141.574 where: short stacking energy: -57.218 Base-Backbone interact. energy: -1.463 local terms energy: -63.142840 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -10.933 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -12.075 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: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -201.356947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.356947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.356947 (E_RNA) where: Base-Base interactions energy: -141.602 where: short stacking energy: -56.714 Base-Backbone interact. energy: -0.076 local terms energy: -59.679684 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -9.764 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -13.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -178.273015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.273015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.273015 (E_RNA) where: Base-Base interactions energy: -119.914 where: short stacking energy: -48.056 Base-Backbone interact. energy: -0.186 local terms energy: -58.172299 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -10.590 flat angles C4'-P-C4' energy: -15.169 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -14.717 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: 412 Temperature: 1.300000 Total energy: -75.102665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.102665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.102665 (E_RNA) where: Base-Base interactions energy: -30.694 where: short stacking energy: -30.694 Base-Backbone interact. energy: -0.080 local terms energy: -44.328245 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -10.978 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -73.007778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.007778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.007778 (E_RNA) where: Base-Base interactions energy: -29.950 where: short stacking energy: -28.338 Base-Backbone interact. energy: -0.320 local terms energy: -42.738130 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -11.995 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -4.457 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: 413 Temperature: 0.900000 Total energy: -222.524731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.524731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.524731 (E_RNA) where: Base-Base interactions energy: -151.778 where: short stacking energy: -65.585 Base-Backbone interact. energy: -0.418 local terms energy: -70.329409 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -10.794 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: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -206.802461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.802461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.802461 (E_RNA) where: Base-Base interactions energy: -138.469 where: short stacking energy: -60.325 Base-Backbone interact. energy: -0.005 local terms energy: -68.328825 where: bonds (distance) C4'-P energy: -13.170 bonds (distance) P-C4' energy: -13.084 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -12.199 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: 3, replica: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -216.668764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.668764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.668764 (E_RNA) where: Base-Base interactions energy: -143.575 where: short stacking energy: -68.739 Base-Backbone interact. energy: -0.008 local terms energy: -73.085743 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -21.323 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: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -210.789518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.789518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.789518 (E_RNA) where: Base-Base interactions energy: -145.184 where: short stacking energy: -60.632 Base-Backbone interact. energy: -0.019 local terms energy: -65.586636 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -11.840 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -17.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -204.747936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.747936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.747936 (E_RNA) where: Base-Base interactions energy: -137.458 where: short stacking energy: -68.064 Base-Backbone interact. energy: -0.009 local terms energy: -67.281175 where: bonds (distance) C4'-P energy: -9.072 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -20.877 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -201.237159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.237159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.237159 (E_RNA) where: Base-Base interactions energy: -131.243 where: short stacking energy: -52.554 Base-Backbone interact. energy: -0.201 local terms energy: -69.792689 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -13.338 tors. eta vs tors. theta energy: -13.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -195.751012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.751012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.751012 (E_RNA) where: Base-Base interactions energy: -129.079 where: short stacking energy: -54.433 Base-Backbone interact. energy: 0.294 local terms energy: -66.965926 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -15.127 flat angles P-C4'-P energy: -9.154 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: 8, replica: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -179.641684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.641684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.641684 (E_RNA) where: Base-Base interactions energy: -123.510 where: short stacking energy: -49.913 Base-Backbone interact. energy: -0.255 local terms energy: -55.876854 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -9.258 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -11.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -81.944331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.944331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.944331 (E_RNA) where: Base-Base interactions energy: -38.660 where: short stacking energy: -35.895 Base-Backbone interact. energy: -0.294 local terms energy: -42.989780 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -9.666 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -0.856 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: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -77.912543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.912543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.912543 (E_RNA) where: Base-Base interactions energy: -37.037 where: short stacking energy: -37.037 Base-Backbone interact. energy: -0.040 local terms energy: -40.835725 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -11.298 flat angles C4'-P-C4' energy: -11.712 flat angles P-C4'-P energy: -1.084 tors. eta vs tors. theta energy: -6.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -216.463700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.463700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.463700 (E_RNA) where: Base-Base interactions energy: -147.381 where: short stacking energy: -65.066 Base-Backbone interact. energy: -0.037 local terms energy: -69.046016 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -8.598 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: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -216.705872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.705872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.705872 (E_RNA) where: Base-Base interactions energy: -146.890 where: short stacking energy: -70.276 Base-Backbone interact. energy: -0.001 local terms energy: -69.814283 where: bonds (distance) C4'-P energy: -12.450 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -16.059 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -17.420 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: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -214.743637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.743637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.743637 (E_RNA) where: Base-Base interactions energy: -144.490 where: short stacking energy: -65.108 Base-Backbone interact. energy: -0.163 local terms energy: -70.090740 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -11.781 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: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -212.226024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.226024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.226024 (E_RNA) where: Base-Base interactions energy: -140.404 where: short stacking energy: -64.313 Base-Backbone interact. energy: -0.001 local terms energy: -71.820679 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -13.794 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -19.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -196.620936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.620936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.620936 (E_RNA) where: Base-Base interactions energy: -134.728 where: short stacking energy: -53.015 Base-Backbone interact. energy: -0.042 local terms energy: -61.850817 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -12.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -201.700177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.700177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.700177 (E_RNA) where: Base-Base interactions energy: -141.457 where: short stacking energy: -58.596 Base-Backbone interact. energy: -0.029 local terms energy: -60.213965 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -16.245 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: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -194.334927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.334927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.334927 (E_RNA) where: Base-Base interactions energy: -142.351 where: short stacking energy: -55.577 Base-Backbone interact. energy: -0.072 local terms energy: -51.911900 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -9.965 flat angles C4'-P-C4' energy: -10.631 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -13.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -200.810493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.810493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.810493 (E_RNA) where: Base-Base interactions energy: -137.667 where: short stacking energy: -59.438 Base-Backbone interact. energy: -0.852 local terms energy: -62.291728 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -17.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -90.732394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.732394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.732394 (E_RNA) where: Base-Base interactions energy: -43.367 where: short stacking energy: -24.426 Base-Backbone interact. energy: 0.061 local terms energy: -47.427176 where: bonds (distance) C4'-P energy: -13.170 bonds (distance) P-C4' energy: -13.115 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -2.614 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: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -81.377428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.377428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.377428 (E_RNA) where: Base-Base interactions energy: -43.099 where: short stacking energy: -43.099 Base-Backbone interact. energy: -0.024 local terms energy: -38.254454 where: bonds (distance) C4'-P energy: -3.327 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -9.026 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -6.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -222.316274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.316274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.316274 (E_RNA) where: Base-Base interactions energy: -146.357 where: short stacking energy: -65.827 Base-Backbone interact. energy: -0.006 local terms energy: -75.953285 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -16.305 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -21.236 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: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -222.663114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.663114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.663114 (E_RNA) where: Base-Base interactions energy: -149.563 where: short stacking energy: -69.431 Base-Backbone interact. energy: -0.019 local terms energy: -73.081344 where: bonds (distance) C4'-P energy: -14.192 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -10.635 tors. eta vs tors. theta energy: -19.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -211.244627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.244627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.244627 (E_RNA) where: Base-Base interactions energy: -146.057 where: short stacking energy: -67.001 Base-Backbone interact. energy: -0.008 local terms energy: -65.179623 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -13.656 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -4.668 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: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -209.355595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.355595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.355595 (E_RNA) where: Base-Base interactions energy: -141.118 where: short stacking energy: -58.075 Base-Backbone interact. energy: -0.213 local terms energy: -68.025040 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -8.077 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: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -204.910716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.910716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.910716 (E_RNA) where: Base-Base interactions energy: -136.560 where: short stacking energy: -59.499 Base-Backbone interact. energy: -0.004 local terms energy: -68.347006 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -19.910 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: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -201.524790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.524790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.524790 (E_RNA) where: Base-Base interactions energy: -137.821 where: short stacking energy: -56.369 Base-Backbone interact. energy: -0.003 local terms energy: -63.700674 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -8.552 flat angles C4'-P-C4' energy: -14.105 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -16.171 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: 415 Temperature: 1.200000 Total energy: -198.559623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.559623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.559623 (E_RNA) where: Base-Base interactions energy: -136.609 where: short stacking energy: -58.237 Base-Backbone interact. energy: 0.127 local terms energy: -62.077080 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -12.734 flat angles C4'-P-C4' energy: -16.355 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -16.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -192.839070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.839070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.839070 (E_RNA) where: Base-Base interactions energy: -133.047 where: short stacking energy: -53.196 Base-Backbone interact. energy: -0.647 local terms energy: -59.144981 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -15.052 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -12.258 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: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -74.580288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.580288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.580288 (E_RNA) where: Base-Base interactions energy: -26.104 where: short stacking energy: -14.727 Base-Backbone interact. energy: -0.444 local terms energy: -48.031825 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -2.128 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: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -72.374500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.374500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.374500 (E_RNA) where: Base-Base interactions energy: -32.344 where: short stacking energy: -32.344 Base-Backbone interact. energy: -0.091 local terms energy: -39.939678 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -10.643 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -222.680140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.680140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.680140 (E_RNA) where: Base-Base interactions energy: -149.043 where: short stacking energy: -68.103 Base-Backbone interact. energy: -0.241 local terms energy: -73.396000 where: bonds (distance) C4'-P energy: -16.035 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -9.620 flat angles P-C4'-P energy: -11.314 tors. eta vs tors. theta energy: -20.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -217.429302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.429302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.429302 (E_RNA) where: Base-Base interactions energy: -144.660 where: short stacking energy: -58.315 Base-Backbone interact. energy: -0.001 local terms energy: -72.768070 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -15.468 flat angles P-C4'-P energy: -12.561 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: 5 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -205.401466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.401466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.401466 (E_RNA) where: Base-Base interactions energy: -141.705 where: short stacking energy: -57.382 Base-Backbone interact. energy: -0.143 local terms energy: -63.553949 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -12.019 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: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -213.748211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.748211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.748211 (E_RNA) where: Base-Base interactions energy: -147.899 where: short stacking energy: -65.905 Base-Backbone interact. energy: -0.022 local terms energy: -65.826568 where: bonds (distance) C4'-P energy: -10.860 bonds (distance) P-C4' energy: -9.947 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -10.253 tors. eta vs tors. theta energy: -19.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -214.258478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.258478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.258478 (E_RNA) where: Base-Base interactions energy: -141.536 where: short stacking energy: -64.268 Base-Backbone interact. energy: -0.125 local terms energy: -72.597464 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -16.528 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -19.920 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -209.926603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.926603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.926603 (E_RNA) where: Base-Base interactions energy: -153.919 where: short stacking energy: -67.602 Base-Backbone interact. energy: -0.014 local terms energy: -55.993385 where: bonds (distance) C4'-P energy: -9.877 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -15.103 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: 416 Temperature: 1.200000 Total energy: -176.177872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.177872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.177872 (E_RNA) where: Base-Base interactions energy: -119.675 where: short stacking energy: -46.760 Base-Backbone interact. energy: -0.106 local terms energy: -56.396395 where: bonds (distance) C4'-P energy: -10.094 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -10.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -197.209315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.209315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.209315 (E_RNA) where: Base-Base interactions energy: -133.494 where: short stacking energy: -53.153 Base-Backbone interact. energy: -0.076 local terms energy: -63.639893 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -15.028 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -14.659 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: 416 Temperature: 1.300000 Total energy: -74.805503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.805503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.805503 (E_RNA) where: Base-Base interactions energy: -29.268 where: short stacking energy: -20.689 Base-Backbone interact. energy: 0.281 local terms energy: -45.817993 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -7.037 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: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -70.360205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.360205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.360205 (E_RNA) where: Base-Base interactions energy: -28.677 where: short stacking energy: -27.328 Base-Backbone interact. energy: -0.346 local terms energy: -41.337073 where: bonds (distance) C4'-P energy: -10.374 bonds (distance) P-C4' energy: -9.629 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -6.547 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: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -224.360261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.360261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.360261 (E_RNA) where: Base-Base interactions energy: -148.380 where: short stacking energy: -68.323 Base-Backbone interact. energy: -0.347 local terms energy: -75.633348 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -15.921 flat angles P-C4'-P energy: -9.602 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: 2, replica: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -209.169688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.169688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.169688 (E_RNA) where: Base-Base interactions energy: -140.827 where: short stacking energy: -61.385 Base-Backbone interact. energy: -0.054 local terms energy: -68.288964 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -15.943 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -15.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -214.084730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.084730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.084730 (E_RNA) where: Base-Base interactions energy: -146.066 where: short stacking energy: -61.909 Base-Backbone interact. energy: -0.036 local terms energy: -67.981994 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -18.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -209.754585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.754585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.754585 (E_RNA) where: Base-Base interactions energy: -142.320 where: short stacking energy: -62.085 Base-Backbone interact. energy: -0.807 local terms energy: -66.627316 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -9.774 flat angles C4'-P-C4' energy: -13.587 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -19.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -210.356157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.356157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.356157 (E_RNA) where: Base-Base interactions energy: -140.649 where: short stacking energy: -60.074 Base-Backbone interact. energy: -0.025 local terms energy: -69.682514 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -14.797 flat angles P-C4'-P energy: -8.901 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: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -204.068286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.068286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.068286 (E_RNA) where: Base-Base interactions energy: -140.326 where: short stacking energy: -59.783 Base-Backbone interact. energy: -0.007 local terms energy: -63.735313 where: bonds (distance) C4'-P energy: -11.854 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -11.809 flat angles P-C4'-P energy: -10.684 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: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -194.644645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.644645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.644645 (E_RNA) where: Base-Base interactions energy: -136.501 where: short stacking energy: -57.453 Base-Backbone interact. energy: -1.268 local terms energy: -56.875591 where: bonds (distance) C4'-P energy: -3.937 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -11.573 tors. eta vs tors. theta energy: -14.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -197.801528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.801528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.801528 (E_RNA) where: Base-Base interactions energy: -132.566 where: short stacking energy: -66.826 Base-Backbone interact. energy: -0.250 local terms energy: -64.985391 where: bonds (distance) C4'-P energy: -10.376 bonds (distance) P-C4' energy: -11.678 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -11.218 tors. eta vs tors. theta energy: -18.507 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: 9, replica: 1 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -76.294191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.294191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.294191 (E_RNA) where: Base-Base interactions energy: -27.106 where: short stacking energy: -26.617 Base-Backbone interact. energy: -0.038 local terms energy: -49.150557 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -10.378 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -7.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -74.629532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.629532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.629532 (E_RNA) where: Base-Base interactions energy: -30.914 where: short stacking energy: -22.524 Base-Backbone interact. energy: -0.061 local terms energy: -43.654279 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -15.593 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -2.356 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: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -223.968808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.968808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.968808 (E_RNA) where: Base-Base interactions energy: -154.032 where: short stacking energy: -69.813 Base-Backbone interact. energy: -0.018 local terms energy: -69.919658 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -12.562 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -10.945 tors. eta vs tors. theta energy: -20.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -214.757550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.757550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.757550 (E_RNA) where: Base-Base interactions energy: -141.670 where: short stacking energy: -64.228 Base-Backbone interact. energy: -0.554 local terms energy: -72.533825 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -15.064 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -19.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -213.598633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.598633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.598633 (E_RNA) where: Base-Base interactions energy: -148.352 where: short stacking energy: -63.110 Base-Backbone interact. energy: 0.302 local terms energy: -65.549110 where: bonds (distance) C4'-P energy: -10.334 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -13.030 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: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -208.719705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.719705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.719705 (E_RNA) where: Base-Base interactions energy: -139.337 where: short stacking energy: -61.373 Base-Backbone interact. energy: -1.016 local terms energy: -68.365788 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -16.923 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -8.576 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: 5, replica: 3 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -209.803133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.803133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.803133 (E_RNA) where: Base-Base interactions energy: -146.270 where: short stacking energy: -62.968 Base-Backbone interact. energy: -0.030 local terms energy: -63.502909 where: bonds (distance) C4'-P energy: -10.280 bonds (distance) P-C4' energy: -10.695 flat angles C4'-P-C4' energy: -15.042 flat angles P-C4'-P energy: -9.779 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: 6, replica: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -193.027169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.027169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.027169 (E_RNA) where: Base-Base interactions energy: -138.369 where: short stacking energy: -56.050 Base-Backbone interact. energy: -0.156 local terms energy: -54.502745 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -8.746 tors. eta vs tors. theta energy: -11.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -188.752109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.752109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.752109 (E_RNA) where: Base-Base interactions energy: -132.004 where: short stacking energy: -49.694 Base-Backbone interact. energy: -0.690 local terms energy: -56.058017 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -11.816 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -9.420 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: 8, replica: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -199.346663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.346663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.346663 (E_RNA) where: Base-Base interactions energy: -133.986 where: short stacking energy: -56.756 Base-Backbone interact. energy: -0.005 local terms energy: -65.356230 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -11.611 flat angles P-C4'-P energy: -10.495 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: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -80.551929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.551929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.551929 (E_RNA) where: Base-Base interactions energy: -35.333 where: short stacking energy: -35.333 Base-Backbone interact. energy: -0.046 local terms energy: -45.173228 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -7.141 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -74.973732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.973732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.973732 (E_RNA) where: Base-Base interactions energy: -30.918 where: short stacking energy: -25.121 Base-Backbone interact. energy: -0.146 local terms energy: -43.909022 where: bonds (distance) C4'-P energy: -12.187 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -10.699 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -220.789858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.789858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.789858 (E_RNA) where: Base-Base interactions energy: -149.450 where: short stacking energy: -62.929 Base-Backbone interact. energy: -0.192 local terms energy: -71.147775 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -11.340 tors. eta vs tors. theta energy: -16.293 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: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -210.836640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.836640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.836640 (E_RNA) where: Base-Base interactions energy: -144.515 where: short stacking energy: -57.717 Base-Backbone interact. energy: -0.064 local terms energy: -66.257631 where: bonds (distance) C4'-P energy: -11.414 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -15.962 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -21.146 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: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -224.073819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.073819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.073819 (E_RNA) where: Base-Base interactions energy: -150.538 where: short stacking energy: -67.173 Base-Backbone interact. energy: -1.297 local terms energy: -72.238677 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -18.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -217.704049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.704049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.704049 (E_RNA) where: Base-Base interactions energy: -152.303 where: short stacking energy: -64.992 Base-Backbone interact. energy: -0.616 local terms energy: -64.784913 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -9.598 flat angles C4'-P-C4' energy: -15.564 flat angles P-C4'-P energy: -9.856 tors. eta vs tors. theta energy: -16.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -201.878340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.878340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.878340 (E_RNA) where: Base-Base interactions energy: -139.518 where: short stacking energy: -58.995 Base-Backbone interact. energy: 0.143 local terms energy: -62.503296 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -9.158 tors. eta vs tors. theta energy: -14.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -197.685914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.685914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.685914 (E_RNA) where: Base-Base interactions energy: -132.600 where: short stacking energy: -57.950 Base-Backbone interact. energy: -0.133 local terms energy: -64.952991 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -14.251 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: -14.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -196.780141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.780141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.780141 (E_RNA) where: Base-Base interactions energy: -133.723 where: short stacking energy: -51.627 Base-Backbone interact. energy: -0.230 local terms energy: -62.826714 where: bonds (distance) C4'-P energy: -11.283 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -13.346 flat angles P-C4'-P energy: -11.548 tors. eta vs tors. theta energy: -13.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -196.945267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.945267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.945267 (E_RNA) where: Base-Base interactions energy: -131.764 where: short stacking energy: -55.115 Base-Backbone interact. energy: -0.011 local terms energy: -65.169868 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -10.276 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: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -77.784136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.784136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.784136 (E_RNA) where: Base-Base interactions energy: -40.242 where: short stacking energy: -27.911 Base-Backbone interact. energy: -0.074 local terms energy: -37.468250 where: bonds (distance) C4'-P energy: -4.020 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -7.154 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -69.562694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.562694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.562694 (E_RNA) where: Base-Base interactions energy: -20.948 where: short stacking energy: -20.948 Base-Backbone interact. energy: -0.080 local terms energy: -48.534526 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -11.070 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: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -221.264466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.264466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.264466 (E_RNA) where: Base-Base interactions energy: -148.274 where: short stacking energy: -67.514 Base-Backbone interact. energy: -0.373 local terms energy: -72.617999 where: bonds (distance) C4'-P energy: -14.048 bonds (distance) P-C4' energy: -15.696 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -18.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -224.314993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.314993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.314993 (E_RNA) where: Base-Base interactions energy: -153.431 where: short stacking energy: -72.838 Base-Backbone interact. energy: -0.019 local terms energy: -70.864785 where: bonds (distance) C4'-P energy: -13.647 bonds (distance) P-C4' energy: -10.681 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -12.249 tors. eta vs tors. theta energy: -19.796 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: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -215.156835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.156835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.156835 (E_RNA) where: Base-Base interactions energy: -149.214 where: short stacking energy: -66.977 Base-Backbone interact. energy: -0.002 local terms energy: -65.940016 where: bonds (distance) C4'-P energy: -10.651 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -18.602 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: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -212.105908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.105908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.105908 (E_RNA) where: Base-Base interactions energy: -149.563 where: short stacking energy: -62.217 Base-Backbone interact. energy: -0.222 local terms energy: -62.320958 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -12.196 flat angles C4'-P-C4' energy: -12.404 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -17.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -207.081744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.081744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.081744 (E_RNA) where: Base-Base interactions energy: -138.329 where: short stacking energy: -56.757 Base-Backbone interact. energy: -0.291 local terms energy: -68.460903 where: bonds (distance) C4'-P energy: -14.511 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -15.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -193.996380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.996380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.996380 (E_RNA) where: Base-Base interactions energy: -137.573 where: short stacking energy: -57.064 Base-Backbone interact. energy: -0.391 local terms energy: -56.032297 where: bonds (distance) C4'-P energy: -8.956 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -13.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -198.906037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.906037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.906037 (E_RNA) where: Base-Base interactions energy: -138.801 where: short stacking energy: -55.870 Base-Backbone interact. energy: -0.491 local terms energy: -59.614331 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -10.946 flat angles C4'-P-C4' energy: -10.635 flat angles P-C4'-P energy: -9.265 tors. eta vs tors. theta energy: -14.539 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: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -210.411474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.411474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.411474 (E_RNA) where: Base-Base interactions energy: -143.173 where: short stacking energy: -63.256 Base-Backbone interact. energy: -0.791 local terms energy: -66.447928 where: bonds (distance) C4'-P energy: -15.136 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -16.049 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -14.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -80.995098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.995098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.995098 (E_RNA) where: Base-Base interactions energy: -31.642 where: short stacking energy: -31.642 Base-Backbone interact. energy: -0.052 local terms energy: -49.301476 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -9.234 flat angles P-C4'-P energy: -8.158 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: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -78.350892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.350892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.350892 (E_RNA) where: Base-Base interactions energy: -36.820 where: short stacking energy: -20.877 Base-Backbone interact. energy: -0.848 local terms energy: -40.682891 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -9.224 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: 1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -228.366847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.366847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.366847 (E_RNA) where: Base-Base interactions energy: -154.460 where: short stacking energy: -70.337 Base-Backbone interact. energy: -0.092 local terms energy: -73.813994 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -14.510 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -10.631 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: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -223.453171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.453171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.453171 (E_RNA) where: Base-Base interactions energy: -150.054 where: short stacking energy: -68.969 Base-Backbone interact. energy: -0.041 local terms energy: -73.357762 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -14.808 flat angles P-C4'-P energy: -11.898 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: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -212.076795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.076795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.076795 (E_RNA) where: Base-Base interactions energy: -149.132 where: short stacking energy: -63.113 Base-Backbone interact. energy: -0.096 local terms energy: -62.848844 where: bonds (distance) C4'-P energy: -8.033 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -13.858 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -215.443392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.443392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.443392 (E_RNA) where: Base-Base interactions energy: -148.193 where: short stacking energy: -68.408 Base-Backbone interact. energy: 0.578 local terms energy: -67.828035 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -17.776 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: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -206.578887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.578887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.578887 (E_RNA) where: Base-Base interactions energy: -141.614 where: short stacking energy: -61.514 Base-Backbone interact. energy: -0.131 local terms energy: -64.833827 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -12.167 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -13.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -210.874072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.874072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.874072 (E_RNA) where: Base-Base interactions energy: -140.810 where: short stacking energy: -63.842 Base-Backbone interact. energy: -0.007 local terms energy: -70.057115 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -14.978 flat angles P-C4'-P energy: -10.689 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: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -203.293418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.293418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.293418 (E_RNA) where: Base-Base interactions energy: -132.319 where: short stacking energy: -60.585 Base-Backbone interact. energy: -0.045 local terms energy: -70.929200 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -11.875 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: 8, replica: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -196.345829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.345829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.345829 (E_RNA) where: Base-Base interactions energy: -139.875 where: short stacking energy: -58.746 Base-Backbone interact. energy: -0.032 local terms energy: -56.438956 where: bonds (distance) C4'-P energy: -2.778 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -8.030 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: 9, replica: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -77.946222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.946222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.946222 (E_RNA) where: Base-Base interactions energy: -29.509 where: short stacking energy: -29.509 Base-Backbone interact. energy: -0.002 local terms energy: -48.435029 where: bonds (distance) C4'-P energy: -11.237 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -15.808 flat angles P-C4'-P energy: -7.542 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: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -71.575645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.575645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.575645 (E_RNA) where: Base-Base interactions energy: -26.964 where: short stacking energy: -24.289 Base-Backbone interact. energy: -0.354 local terms energy: -44.257282 where: bonds (distance) C4'-P energy: -9.287 bonds (distance) P-C4' energy: -14.633 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -216.337306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.337306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.337306 (E_RNA) where: Base-Base interactions energy: -150.837 where: short stacking energy: -66.558 Base-Backbone interact. energy: -0.007 local terms energy: -65.493990 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -17.052 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: 2, replica: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -223.163090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.163090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.163090 (E_RNA) where: Base-Base interactions energy: -151.893 where: short stacking energy: -68.478 Base-Backbone interact. energy: -0.685 local terms energy: -70.585702 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -9.564 flat angles C4'-P-C4' energy: -14.233 flat angles P-C4'-P energy: -12.426 tors. eta vs tors. theta energy: -20.679 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: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -212.054912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.054912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.054912 (E_RNA) where: Base-Base interactions energy: -142.228 where: short stacking energy: -60.013 Base-Backbone interact. energy: -0.092 local terms energy: -69.734289 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -10.389 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: 4, replica: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -204.752403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.752403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.752403 (E_RNA) where: Base-Base interactions energy: -144.208 where: short stacking energy: -63.495 Base-Backbone interact. energy: -0.117 local terms energy: -60.427727 where: bonds (distance) C4'-P energy: -9.796 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -16.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -206.271975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.271975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.271975 (E_RNA) where: Base-Base interactions energy: -142.021 where: short stacking energy: -58.340 Base-Backbone interact. energy: -0.086 local terms energy: -64.164658 where: bonds (distance) C4'-P energy: -10.918 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -202.161482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.161482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.161482 (E_RNA) where: Base-Base interactions energy: -136.476 where: short stacking energy: -57.846 Base-Backbone interact. energy: -0.499 local terms energy: -65.187229 where: bonds (distance) C4'-P energy: -10.713 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -11.396 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -17.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -210.703600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.703600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.703600 (E_RNA) where: Base-Base interactions energy: -138.294 where: short stacking energy: -57.390 Base-Backbone interact. energy: -0.000 local terms energy: -72.409683 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -11.580 flat angles C4'-P-C4' energy: -15.194 flat angles P-C4'-P energy: -12.343 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: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -207.158172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.158172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.158172 (E_RNA) where: Base-Base interactions energy: -141.292 where: short stacking energy: -62.310 Base-Backbone interact. energy: -0.048 local terms energy: -65.818008 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -11.073 tors. eta vs tors. theta energy: -15.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -75.607076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.607076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.607076 (E_RNA) where: Base-Base interactions energy: -37.789 where: short stacking energy: -35.469 Base-Backbone interact. energy: -0.086 local terms energy: -37.732568 where: bonds (distance) C4'-P energy: -10.902 bonds (distance) P-C4' energy: -10.136 flat angles C4'-P-C4' energy: -9.246 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -4.785 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: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -78.543804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.543804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.543804 (E_RNA) where: Base-Base interactions energy: -30.481 where: short stacking energy: -30.481 Base-Backbone interact. energy: -0.140 local terms energy: -47.923081 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -7.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -223.853030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.853030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.853030 (E_RNA) where: Base-Base interactions energy: -146.415 where: short stacking energy: -66.645 Base-Backbone interact. energy: -0.001 local terms energy: -77.437054 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -12.487 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -12.261 tors. eta vs tors. theta energy: -22.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -215.331958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.331958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.331958 (E_RNA) where: Base-Base interactions energy: -145.683 where: short stacking energy: -64.350 Base-Backbone interact. energy: -0.012 local terms energy: -69.636447 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -20.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -214.535288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.535288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.535288 (E_RNA) where: Base-Base interactions energy: -149.160 where: short stacking energy: -62.047 Base-Backbone interact. energy: -0.004 local terms energy: -65.371493 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -11.686 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -9.933 tors. eta vs tors. theta energy: -18.239 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: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -209.337957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.337957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.337957 (E_RNA) where: Base-Base interactions energy: -143.384 where: short stacking energy: -58.753 Base-Backbone interact. energy: -0.012 local terms energy: -65.942373 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -10.582 flat angles P-C4'-P energy: -10.646 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: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -210.719943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.719943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.719943 (E_RNA) where: Base-Base interactions energy: -147.914 where: short stacking energy: -63.918 Base-Backbone interact. energy: -0.642 local terms energy: -62.163371 where: bonds (distance) C4'-P energy: -11.042 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -8.704 tors. eta vs tors. theta energy: -16.074 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: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -202.464724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.464724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.464724 (E_RNA) where: Base-Base interactions energy: -141.691 where: short stacking energy: -61.454 Base-Backbone interact. energy: -0.001 local terms energy: -60.773087 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -8.716 flat angles C4'-P-C4' energy: -14.167 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -19.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -177.848006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.848006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.848006 (E_RNA) where: Base-Base interactions energy: -120.763 where: short stacking energy: -50.298 Base-Backbone interact. energy: -0.004 local terms energy: -57.081098 where: bonds (distance) C4'-P energy: -6.844 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -11.449 tors. eta vs tors. theta energy: -12.329 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: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -193.568226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.568226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.568226 (E_RNA) where: Base-Base interactions energy: -130.763 where: short stacking energy: -60.482 Base-Backbone interact. energy: -0.102 local terms energy: -62.703023 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -9.277 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: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -85.632429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.632429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.632429 (E_RNA) where: Base-Base interactions energy: -40.615 where: short stacking energy: -22.938 Base-Backbone interact. energy: -0.006 local terms energy: -45.012110 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -11.147 flat angles P-C4'-P energy: -4.667 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: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -96.755283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.755283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.755283 (E_RNA) where: Base-Base interactions energy: -54.998 where: short stacking energy: -26.716 Base-Backbone interact. energy: -0.369 local terms energy: -41.388261 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -1.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -224.652817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.652817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.652817 (E_RNA) where: Base-Base interactions energy: -153.257 where: short stacking energy: -69.942 Base-Backbone interact. energy: -0.000 local terms energy: -71.395053 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -16.179 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -19.752 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: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -223.348611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.348611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.348611 (E_RNA) where: Base-Base interactions energy: -151.331 where: short stacking energy: -65.002 Base-Backbone interact. energy: -0.523 local terms energy: -71.494677 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -12.900 flat angles C4'-P-C4' energy: -16.115 flat angles P-C4'-P energy: -10.282 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: 3, replica: 2 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -207.125038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.125038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.125038 (E_RNA) where: Base-Base interactions energy: -136.530 where: short stacking energy: -61.564 Base-Backbone interact. energy: 0.379 local terms energy: -70.974640 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -10.847 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: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -212.030711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.030711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.030711 (E_RNA) where: Base-Base interactions energy: -143.886 where: short stacking energy: -61.978 Base-Backbone interact. energy: -0.031 local terms energy: -68.113596 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -12.062 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -10.000 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: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -205.883789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.883789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.883789 (E_RNA) where: Base-Base interactions energy: -140.715 where: short stacking energy: -64.299 Base-Backbone interact. energy: -0.017 local terms energy: -65.152098 where: bonds (distance) C4'-P energy: -14.060 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -10.476 tors. eta vs tors. theta energy: -16.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -199.402403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.402403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.402403 (E_RNA) where: Base-Base interactions energy: -138.021 where: short stacking energy: -55.949 Base-Backbone interact. energy: -0.221 local terms energy: -61.160528 where: bonds (distance) C4'-P energy: -9.731 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -13.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -189.978552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.978552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.978552 (E_RNA) where: Base-Base interactions energy: -131.868 where: short stacking energy: -56.493 Base-Backbone interact. energy: -0.092 local terms energy: -58.018542 where: bonds (distance) C4'-P energy: -8.781 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -13.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -173.671259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.671259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.671259 (E_RNA) where: Base-Base interactions energy: -114.058 where: short stacking energy: -47.560 Base-Backbone interact. energy: -0.074 local terms energy: -59.539124 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -12.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -104.167396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.167396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.167396 (E_RNA) where: Base-Base interactions energy: -55.207 where: short stacking energy: -26.167 Base-Backbone interact. energy: -0.460 local terms energy: -48.500035 where: bonds (distance) C4'-P energy: -9.447 bonds (distance) P-C4' energy: -13.946 flat angles C4'-P-C4' energy: -11.637 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -2.876 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: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -80.339613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.339613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.339613 (E_RNA) where: Base-Base interactions energy: -26.812 where: short stacking energy: -26.812 Base-Backbone interact. energy: -0.009 local terms energy: -53.518529 where: bonds (distance) C4'-P energy: -12.862 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -11.122 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -223.539002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.539002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.539002 (E_RNA) where: Base-Base interactions energy: -157.502 where: short stacking energy: -69.018 Base-Backbone interact. energy: -0.768 local terms energy: -65.269756 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -12.340 flat angles P-C4'-P energy: -3.415 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: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -219.068018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.068018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.068018 (E_RNA) where: Base-Base interactions energy: -147.303 where: short stacking energy: -67.834 Base-Backbone interact. energy: -0.034 local terms energy: -71.731826 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -14.851 flat angles P-C4'-P energy: -12.631 tors. eta vs tors. theta energy: -18.099 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: 2 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -217.263926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.263926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.263926 (E_RNA) where: Base-Base interactions energy: -148.745 where: short stacking energy: -70.442 Base-Backbone interact. energy: -0.009 local terms energy: -68.509848 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -18.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -219.484606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.484606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.484606 (E_RNA) where: Base-Base interactions energy: -151.800 where: short stacking energy: -63.968 Base-Backbone interact. energy: -0.004 local terms energy: -67.680574 where: bonds (distance) C4'-P energy: -13.819 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -8.230 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: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -218.373449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.373449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.373449 (E_RNA) where: Base-Base interactions energy: -150.026 where: short stacking energy: -63.961 Base-Backbone interact. energy: -0.052 local terms energy: -68.295518 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -12.318 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -19.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -210.074817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.074817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.074817 (E_RNA) where: Base-Base interactions energy: -137.672 where: short stacking energy: -63.048 Base-Backbone interact. energy: -0.288 local terms energy: -72.115235 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -16.517 flat angles P-C4'-P energy: -12.418 tors. eta vs tors. theta energy: -16.530 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: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -200.264135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.264135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.264135 (E_RNA) where: Base-Base interactions energy: -139.710 where: short stacking energy: -59.760 Base-Backbone interact. energy: -0.003 local terms energy: -60.550836 where: bonds (distance) C4'-P energy: -10.148 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -10.884 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -17.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -158.912540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.912540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.912540 (E_RNA) where: Base-Base interactions energy: -108.306 where: short stacking energy: -44.947 Base-Backbone interact. energy: -0.886 local terms energy: -49.720626 where: bonds (distance) C4'-P energy: -7.566 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -11.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -87.871214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.871214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.871214 (E_RNA) where: Base-Base interactions energy: -51.577 where: short stacking energy: -29.311 Base-Backbone interact. energy: -0.139 local terms energy: -36.154453 where: bonds (distance) C4'-P energy: -13.803 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -2.104 flat angles P-C4'-P energy: -9.722 tors. eta vs tors. theta energy: 3.057 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: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -68.771541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.771541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.771541 (E_RNA) where: Base-Base interactions energy: -23.205 where: short stacking energy: -23.205 Base-Backbone interact. energy: -0.157 local terms energy: -45.409366 where: bonds (distance) C4'-P energy: -10.288 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -10.874 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -224.056468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.056468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.056468 (E_RNA) where: Base-Base interactions energy: -156.816 where: short stacking energy: -69.197 Base-Backbone interact. energy: -0.630 local terms energy: -66.610262 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -11.625 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -11.389 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: 2, replica: 3 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -220.436296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.436296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.436296 (E_RNA) where: Base-Base interactions energy: -149.856 where: short stacking energy: -69.069 Base-Backbone interact. energy: -0.158 local terms energy: -70.422687 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -16.920 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -19.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -215.093346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.093346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.093346 (E_RNA) where: Base-Base interactions energy: -139.883 where: short stacking energy: -58.718 Base-Backbone interact. energy: -0.924 local terms energy: -74.287101 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -14.081 flat angles P-C4'-P energy: -10.955 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: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -209.478514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.478514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.478514 (E_RNA) where: Base-Base interactions energy: -145.410 where: short stacking energy: -68.430 Base-Backbone interact. energy: -0.001 local terms energy: -64.067625 where: bonds (distance) C4'-P energy: -9.939 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -8.508 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: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -211.613324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.613324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.613324 (E_RNA) where: Base-Base interactions energy: -146.199 where: short stacking energy: -66.329 Base-Backbone interact. energy: -0.001 local terms energy: -65.413079 where: bonds (distance) C4'-P energy: -9.905 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -19.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -199.499591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.499591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.499591 (E_RNA) where: Base-Base interactions energy: -137.803 where: short stacking energy: -59.063 Base-Backbone interact. energy: -0.011 local terms energy: -61.685671 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -4.720 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: 7, replica: 4 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -201.739951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.739951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.739951 (E_RNA) where: Base-Base interactions energy: -140.326 where: short stacking energy: -59.728 Base-Backbone interact. energy: -0.030 local terms energy: -61.384121 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -13.300 flat angles C4'-P-C4' energy: -9.122 flat angles P-C4'-P energy: -7.782 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: 426 Temperature: 1.250000 Total energy: -196.347984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.347984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.347984 (E_RNA) where: Base-Base interactions energy: -137.465 where: short stacking energy: -56.416 Base-Backbone interact. energy: -1.096 local terms energy: -57.786678 where: bonds (distance) C4'-P energy: -9.976 bonds (distance) P-C4' energy: -11.671 flat angles C4'-P-C4' energy: -15.646 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -15.332 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: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -79.214270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.214270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.214270 (E_RNA) where: Base-Base interactions energy: -33.990 where: short stacking energy: -31.019 Base-Backbone interact. energy: -0.124 local terms energy: -45.101022 where: bonds (distance) C4'-P energy: -13.737 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -7.479 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: 10, replica: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -65.082942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.082942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.082942 (E_RNA) where: Base-Base interactions energy: -20.012 where: short stacking energy: -15.693 Base-Backbone interact. energy: -0.271 local terms energy: -44.800177 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -9.321 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: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -225.638249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.638249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.638249 (E_RNA) where: Base-Base interactions energy: -146.304 where: short stacking energy: -71.525 Base-Backbone interact. energy: -0.002 local terms energy: -79.332373 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -15.835 flat angles P-C4'-P energy: -11.827 tors. eta vs tors. theta energy: -21.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -217.950820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.950820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.950820 (E_RNA) where: Base-Base interactions energy: -150.893 where: short stacking energy: -66.818 Base-Backbone interact. energy: -0.042 local terms energy: -67.016063 where: bonds (distance) C4'-P energy: -10.529 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -16.218 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -18.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -214.869388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.869388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.869388 (E_RNA) where: Base-Base interactions energy: -144.577 where: short stacking energy: -59.161 Base-Backbone interact. energy: -0.216 local terms energy: -70.076035 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -17.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -216.251503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.251503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.251503 (E_RNA) where: Base-Base interactions energy: -146.293 where: short stacking energy: -66.696 Base-Backbone interact. energy: -0.035 local terms energy: -69.923603 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -14.887 flat angles P-C4'-P energy: -10.316 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: 427 Temperature: 1.100000 Total energy: -212.018813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.018813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.018813 (E_RNA) where: Base-Base interactions energy: -142.671 where: short stacking energy: -61.991 Base-Backbone interact. energy: -0.565 local terms energy: -68.782668 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -17.926 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: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -209.653884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.653884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.653884 (E_RNA) where: Base-Base interactions energy: -140.239 where: short stacking energy: -65.627 Base-Backbone interact. energy: -0.005 local terms energy: -69.409842 where: bonds (distance) C4'-P energy: -15.173 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -17.593 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: 8 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -198.916337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.916337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.916337 (E_RNA) where: Base-Base interactions energy: -137.399 where: short stacking energy: -59.214 Base-Backbone interact. energy: -0.061 local terms energy: -61.456588 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -15.305 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: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -194.671985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.671985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.671985 (E_RNA) where: Base-Base interactions energy: -135.369 where: short stacking energy: -57.208 Base-Backbone interact. energy: -0.086 local terms energy: -59.217387 where: bonds (distance) C4'-P energy: -8.825 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -15.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -82.841707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.841707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.841707 (E_RNA) where: Base-Base interactions energy: -25.117 where: short stacking energy: -25.082 Base-Backbone interact. energy: -0.017 local terms energy: -57.707126 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -80.818950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.818950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.818950 (E_RNA) where: Base-Base interactions energy: -30.390 where: short stacking energy: -30.390 Base-Backbone interact. energy: 1.287 local terms energy: -51.716012 where: bonds (distance) C4'-P energy: -7.528 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -11.038 tors. eta vs tors. theta energy: -6.883 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: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -223.123389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.123389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.123389 (E_RNA) where: Base-Base interactions energy: -152.283 where: short stacking energy: -69.688 Base-Backbone interact. energy: -0.089 local terms energy: -70.751562 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -11.357 flat angles C4'-P-C4' energy: -15.641 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -21.518 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: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -219.961618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.961618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.961618 (E_RNA) where: Base-Base interactions energy: -149.220 where: short stacking energy: -67.398 Base-Backbone interact. energy: -0.034 local terms energy: -70.707409 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -8.847 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: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -216.901100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.901100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.901100 (E_RNA) where: Base-Base interactions energy: -147.145 where: short stacking energy: -66.271 Base-Backbone interact. energy: -0.016 local terms energy: -69.740695 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -19.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -216.865381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.865381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.865381 (E_RNA) where: Base-Base interactions energy: -148.728 where: short stacking energy: -69.524 Base-Backbone interact. energy: -0.125 local terms energy: -68.012185 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -10.689 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -20.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -209.754604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.754604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.754604 (E_RNA) where: Base-Base interactions energy: -147.874 where: short stacking energy: -67.294 Base-Backbone interact. energy: -0.006 local terms energy: -61.874362 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -9.189 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -8.539 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: 6, replica: 2 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -207.693478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.693478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.693478 (E_RNA) where: Base-Base interactions energy: -139.957 where: short stacking energy: -62.924 Base-Backbone interact. energy: -0.002 local terms energy: -67.733832 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -12.264 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: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -195.867550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.867550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.867550 (E_RNA) where: Base-Base interactions energy: -128.312 where: short stacking energy: -49.103 Base-Backbone interact. energy: -0.024 local terms energy: -67.531919 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -15.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -192.958821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.958821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.958821 (E_RNA) where: Base-Base interactions energy: -134.541 where: short stacking energy: -55.950 Base-Backbone interact. energy: -0.120 local terms energy: -58.298284 where: bonds (distance) C4'-P energy: -15.302 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -10.730 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -15.249 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: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -71.419698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.419698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.419698 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.110 local terms energy: -44.123281 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -70.864544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.864544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.864544 (E_RNA) where: Base-Base interactions energy: -21.640 where: short stacking energy: -21.640 Base-Backbone interact. energy: -0.944 local terms energy: -48.279973 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -7.710 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -221.979717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.979717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.979717 (E_RNA) where: Base-Base interactions energy: -148.189 where: short stacking energy: -64.593 Base-Backbone interact. energy: -0.326 local terms energy: -73.465102 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -11.317 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: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -214.461061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.461061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.461061 (E_RNA) where: Base-Base interactions energy: -149.888 where: short stacking energy: -65.305 Base-Backbone interact. energy: -0.085 local terms energy: -64.488294 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -16.679 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: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -215.853940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.853940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.853940 (E_RNA) where: Base-Base interactions energy: -145.223 where: short stacking energy: -66.695 Base-Backbone interact. energy: -0.000 local terms energy: -70.630750 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -15.997 flat angles P-C4'-P energy: -9.356 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: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -220.216492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.216492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.216492 (E_RNA) where: Base-Base interactions energy: -146.508 where: short stacking energy: -66.960 Base-Backbone interact. energy: -2.462 local terms energy: -71.246365 where: bonds (distance) C4'-P energy: -11.236 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -15.200 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -21.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -211.627309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.627309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.627309 (E_RNA) where: Base-Base interactions energy: -140.028 where: short stacking energy: -62.174 Base-Backbone interact. energy: -0.724 local terms energy: -70.874532 where: bonds (distance) C4'-P energy: -14.421 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -18.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -209.444700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.444700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.444700 (E_RNA) where: Base-Base interactions energy: -140.685 where: short stacking energy: -66.535 Base-Backbone interact. energy: -0.429 local terms energy: -68.331500 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -10.261 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: 7, replica: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -194.817932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.817932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.817932 (E_RNA) where: Base-Base interactions energy: -139.267 where: short stacking energy: -60.216 Base-Backbone interact. energy: -0.174 local terms energy: -55.377709 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -10.989 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -15.587 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: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -197.828677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.828677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.828677 (E_RNA) where: Base-Base interactions energy: -131.978 where: short stacking energy: -50.777 Base-Backbone interact. energy: -0.000 local terms energy: -65.850808 where: bonds (distance) C4'-P energy: -15.580 bonds (distance) P-C4' energy: -8.744 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -9.574 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: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -100.052456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.052456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.052456 (E_RNA) where: Base-Base interactions energy: -57.118 where: short stacking energy: -27.949 Base-Backbone interact. energy: -0.024 local terms energy: -42.909959 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -13.628 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -82.948336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.948336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.948336 (E_RNA) where: Base-Base interactions energy: -35.423 where: short stacking energy: -33.669 Base-Backbone interact. energy: -0.058 local terms energy: -47.467594 where: bonds (distance) C4'-P energy: -10.578 bonds (distance) P-C4' energy: -9.924 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -8.634 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: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -220.288250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.288250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.288250 (E_RNA) where: Base-Base interactions energy: -151.655 where: short stacking energy: -66.364 Base-Backbone interact. energy: -0.082 local terms energy: -68.550829 where: bonds (distance) C4'-P energy: -11.383 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -15.209 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -19.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -220.926405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.926405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.926405 (E_RNA) where: Base-Base interactions energy: -152.974 where: short stacking energy: -66.051 Base-Backbone interact. energy: -0.840 local terms energy: -67.112574 where: bonds (distance) C4'-P energy: -9.787 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -19.498 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: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -220.103993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.103993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.103993 (E_RNA) where: Base-Base interactions energy: -147.669 where: short stacking energy: -64.773 Base-Backbone interact. energy: -0.003 local terms energy: -72.431452 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -16.674 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -20.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -210.850725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.850725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.850725 (E_RNA) where: Base-Base interactions energy: -147.735 where: short stacking energy: -62.438 Base-Backbone interact. energy: -0.007 local terms energy: -63.108826 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -9.337 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: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -198.626973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.626973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.626973 (E_RNA) where: Base-Base interactions energy: -144.591 where: short stacking energy: -59.226 Base-Backbone interact. energy: -0.107 local terms energy: -53.929402 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -10.729 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: 6, replica: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -205.870537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.870537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.870537 (E_RNA) where: Base-Base interactions energy: -143.705 where: short stacking energy: -65.508 Base-Backbone interact. energy: -0.003 local terms energy: -62.162667 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -9.663 tors. eta vs tors. theta energy: -18.192 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: 8 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -198.852832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.852832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.852832 (E_RNA) where: Base-Base interactions energy: -139.482 where: short stacking energy: -60.076 Base-Backbone interact. energy: 0.407 local terms energy: -59.778614 where: bonds (distance) C4'-P energy: -9.127 bonds (distance) P-C4' energy: -14.249 flat angles C4'-P-C4' energy: -11.802 flat angles P-C4'-P energy: -6.191 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: 8, replica: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -193.914585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.914585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.914585 (E_RNA) where: Base-Base interactions energy: -143.468 where: short stacking energy: -59.265 Base-Backbone interact. energy: -0.318 local terms energy: -50.128728 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -10.431 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -5.215 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: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -82.539886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.539886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.539886 (E_RNA) where: Base-Base interactions energy: -35.454 where: short stacking energy: -34.523 Base-Backbone interact. energy: -0.096 local terms energy: -46.989462 where: bonds (distance) C4'-P energy: -9.725 bonds (distance) P-C4' energy: -11.690 flat angles C4'-P-C4' energy: -14.544 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -8.518 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: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -69.642193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.642193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.642193 (E_RNA) where: Base-Base interactions energy: -25.155 where: short stacking energy: -20.370 Base-Backbone interact. energy: -0.206 local terms energy: -44.281110 where: bonds (distance) C4'-P energy: -13.356 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: 1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -220.538718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.538718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.538718 (E_RNA) where: Base-Base interactions energy: -146.520 where: short stacking energy: -66.208 Base-Backbone interact. energy: -1.033 local terms energy: -72.985183 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -11.350 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: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -221.525574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.525574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.525574 (E_RNA) where: Base-Base interactions energy: -148.981 where: short stacking energy: -70.753 Base-Backbone interact. energy: -0.067 local terms energy: -72.477826 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -10.538 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: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -214.511546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.511546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.511546 (E_RNA) where: Base-Base interactions energy: -143.266 where: short stacking energy: -66.363 Base-Backbone interact. energy: -0.003 local terms energy: -71.242780 where: bonds (distance) C4'-P energy: -15.123 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -15.510 flat angles P-C4'-P energy: -8.414 tors. eta vs tors. theta energy: -18.703 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: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -199.930730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.930730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.930730 (E_RNA) where: Base-Base interactions energy: -141.761 where: short stacking energy: -58.801 Base-Backbone interact. energy: -0.074 local terms energy: -58.096108 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -13.694 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: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -212.164240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.164240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.164240 (E_RNA) where: Base-Base interactions energy: -146.781 where: short stacking energy: -64.927 Base-Backbone interact. energy: -0.294 local terms energy: -65.088854 where: bonds (distance) C4'-P energy: -12.117 bonds (distance) P-C4' energy: -12.425 flat angles C4'-P-C4' energy: -11.392 flat angles P-C4'-P energy: -9.997 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: 6, replica: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -200.576670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.576670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.576670 (E_RNA) where: Base-Base interactions energy: -140.801 where: short stacking energy: -58.645 Base-Backbone interact. energy: -0.084 local terms energy: -59.691958 where: bonds (distance) C4'-P energy: -10.483 bonds (distance) P-C4' energy: -11.444 flat angles C4'-P-C4' energy: -11.069 flat angles P-C4'-P energy: -10.658 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: 7, replica: 3 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -188.252437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.252437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.252437 (E_RNA) where: Base-Base interactions energy: -132.017 where: short stacking energy: -49.798 Base-Backbone interact. energy: -0.111 local terms energy: -56.124466 where: bonds (distance) C4'-P energy: -7.891 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -9.052 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: 8, replica: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -204.438783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.438783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.438783 (E_RNA) where: Base-Base interactions energy: -141.757 where: short stacking energy: -60.810 Base-Backbone interact. energy: -0.030 local terms energy: -62.651295 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -9.338 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: 9, replica: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -73.299799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.299799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.299799 (E_RNA) where: Base-Base interactions energy: -31.529 where: short stacking energy: -24.811 Base-Backbone interact. energy: 0.236 local terms energy: -42.006170 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -7.712 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: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -72.829282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.829282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.829282 (E_RNA) where: Base-Base interactions energy: -23.856 where: short stacking energy: -23.856 Base-Backbone interact. energy: -0.055 local terms energy: -48.917718 where: bonds (distance) C4'-P energy: -7.048 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -8.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -226.867321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.867321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.867321 (E_RNA) where: Base-Base interactions energy: -155.703 where: short stacking energy: -66.547 Base-Backbone interact. energy: -0.000 local terms energy: -71.163936 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -15.064 flat angles P-C4'-P energy: -10.868 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: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -219.861858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.861858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.861858 (E_RNA) where: Base-Base interactions energy: -147.082 where: short stacking energy: -61.407 Base-Backbone interact. energy: -3.332 local terms energy: -69.447853 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -11.116 tors. eta vs tors. theta energy: -16.981 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: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -215.960318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.960318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.960318 (E_RNA) where: Base-Base interactions energy: -146.050 where: short stacking energy: -68.657 Base-Backbone interact. energy: -0.283 local terms energy: -69.627180 where: bonds (distance) C4'-P energy: -10.520 bonds (distance) P-C4' energy: -15.356 flat angles C4'-P-C4' energy: -15.975 flat angles P-C4'-P energy: -7.390 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: 4, replica: 6 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -210.189918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.189918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.189918 (E_RNA) where: Base-Base interactions energy: -144.982 where: short stacking energy: -52.771 Base-Backbone interact. energy: 0.270 local terms energy: -65.477715 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -13.355 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -11.678 tors. eta vs tors. theta energy: -14.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -208.204759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.204759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.204759 (E_RNA) where: Base-Base interactions energy: -141.561 where: short stacking energy: -59.000 Base-Backbone interact. energy: -0.001 local terms energy: -66.641979 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -13.482 flat angles P-C4'-P energy: -10.171 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: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -218.039650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.039650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.039650 (E_RNA) where: Base-Base interactions energy: -150.224 where: short stacking energy: -61.267 Base-Backbone interact. energy: -0.004 local terms energy: -67.811100 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -11.806 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: 7, replica: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -206.200890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.200890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.200890 (E_RNA) where: Base-Base interactions energy: -140.316 where: short stacking energy: -59.640 Base-Backbone interact. energy: 1.058 local terms energy: -66.942535 where: bonds (distance) C4'-P energy: -12.258 bonds (distance) P-C4' energy: -10.747 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -20.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -174.925617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.925617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.925617 (E_RNA) where: Base-Base interactions energy: -113.149 where: short stacking energy: -47.989 Base-Backbone interact. energy: -0.104 local terms energy: -61.673334 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -10.725 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -11.253 tors. eta vs tors. theta energy: -13.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -75.017947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.017947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.017947 (E_RNA) where: Base-Base interactions energy: -31.048 where: short stacking energy: -31.048 Base-Backbone interact. energy: -0.100 local terms energy: -43.869701 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -9.455 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -2.744 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: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -67.440844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.440844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.440844 (E_RNA) where: Base-Base interactions energy: -22.395 where: short stacking energy: -14.980 Base-Backbone interact. energy: -0.197 local terms energy: -44.848958 where: bonds (distance) C4'-P energy: -13.616 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: 1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -216.347098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.347098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.347098 (E_RNA) where: Base-Base interactions energy: -145.334 where: short stacking energy: -58.953 Base-Backbone interact. energy: -0.969 local terms energy: -70.044707 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -9.670 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: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -215.833142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.833142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.833142 (E_RNA) where: Base-Base interactions energy: -148.074 where: short stacking energy: -64.770 Base-Backbone interact. energy: -0.016 local terms energy: -67.743712 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -14.705 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -18.097 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: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -219.841941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.841941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.841941 (E_RNA) where: Base-Base interactions energy: -151.158 where: short stacking energy: -70.419 Base-Backbone interact. energy: -0.470 local terms energy: -68.214412 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -210.723997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.723997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.723997 (E_RNA) where: Base-Base interactions energy: -144.544 where: short stacking energy: -67.424 Base-Backbone interact. energy: -0.003 local terms energy: -66.176832 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -12.808 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -6.689 tors. eta vs tors. theta energy: -19.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -208.343506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.343506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.343506 (E_RNA) where: Base-Base interactions energy: -143.007 where: short stacking energy: -61.975 Base-Backbone interact. energy: -0.173 local terms energy: -65.164397 where: bonds (distance) C4'-P energy: -10.519 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -9.179 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: 6, replica: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -204.320011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.320011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.320011 (E_RNA) where: Base-Base interactions energy: -141.390 where: short stacking energy: -57.957 Base-Backbone interact. energy: -0.717 local terms energy: -62.213102 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -11.403 tors. eta vs tors. theta energy: -12.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -200.616908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.616908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.616908 (E_RNA) where: Base-Base interactions energy: -134.281 where: short stacking energy: -54.277 Base-Backbone interact. energy: -0.001 local terms energy: -66.334977 where: bonds (distance) C4'-P energy: -13.667 bonds (distance) P-C4' energy: -11.640 flat angles C4'-P-C4' energy: -15.096 flat angles P-C4'-P energy: -10.989 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: 8, replica: 3 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -169.813515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.813515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.813515 (E_RNA) where: Base-Base interactions energy: -120.853 where: short stacking energy: -53.802 Base-Backbone interact. energy: 0.444 local terms energy: -49.404155 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -9.347 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: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -75.761039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.761039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.761039 (E_RNA) where: Base-Base interactions energy: -25.991 where: short stacking energy: -26.091 Base-Backbone interact. energy: -0.118 local terms energy: -49.652247 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -11.403 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -1.876 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: 10, replica: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -88.109633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.109633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.109633 (E_RNA) where: Base-Base interactions energy: -44.807 where: short stacking energy: -16.029 Base-Backbone interact. energy: -0.275 local terms energy: -43.027505 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -8.539 flat angles P-C4'-P energy: -9.693 tors. eta vs tors. theta energy: 1.531 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: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -220.280310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.280310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.280310 (E_RNA) where: Base-Base interactions energy: -148.869 where: short stacking energy: -68.999 Base-Backbone interact. energy: -0.004 local terms energy: -71.407091 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -16.409 flat angles P-C4'-P energy: -10.969 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: 2, replica: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -219.326057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.326057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.326057 (E_RNA) where: Base-Base interactions energy: -149.554 where: short stacking energy: -68.623 Base-Backbone interact. energy: -0.025 local terms energy: -69.747670 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -11.382 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -11.795 tors. eta vs tors. theta energy: -20.323 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: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -220.201417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.201417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.201417 (E_RNA) where: Base-Base interactions energy: -152.584 where: short stacking energy: -68.652 Base-Backbone interact. energy: -0.008 local terms energy: -67.608681 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -14.424 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: -18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -218.619360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.619360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.619360 (E_RNA) where: Base-Base interactions energy: -153.259 where: short stacking energy: -67.117 Base-Backbone interact. energy: -0.004 local terms energy: -65.355963 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -12.504 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: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -215.669082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.669082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.669082 (E_RNA) where: Base-Base interactions energy: -146.814 where: short stacking energy: -63.917 Base-Backbone interact. energy: -0.000 local terms energy: -68.854434 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -10.358 flat angles P-C4'-P energy: -10.657 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: 6, replica: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -199.857971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.857971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.857971 (E_RNA) where: Base-Base interactions energy: -143.412 where: short stacking energy: -60.654 Base-Backbone interact. energy: -0.287 local terms energy: -56.159016 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -9.025 flat angles C4'-P-C4' energy: -15.161 flat angles P-C4'-P energy: -6.273 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: 7, replica: 3 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -163.948013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.948013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.948013 (E_RNA) where: Base-Base interactions energy: -112.379 where: short stacking energy: -48.432 Base-Backbone interact. energy: -0.189 local terms energy: -51.380771 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -13.280 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -12.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -198.028155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.028155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.028155 (E_RNA) where: Base-Base interactions energy: -134.875 where: short stacking energy: -54.693 Base-Backbone interact. energy: -2.832 local terms energy: -60.321181 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -17.155 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: 434 Temperature: 1.300000 Total energy: -87.057187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.057187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.057187 (E_RNA) where: Base-Base interactions energy: -34.239 where: short stacking energy: -34.239 Base-Backbone interact. energy: -0.096 local terms energy: -52.721669 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -9.179 flat angles P-C4'-P energy: -10.623 tors. eta vs tors. theta energy: -6.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -78.712705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.712705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.712705 (E_RNA) where: Base-Base interactions energy: -34.510 where: short stacking energy: -22.784 Base-Backbone interact. energy: 0.221 local terms energy: -44.424209 where: bonds (distance) C4'-P energy: -8.247 bonds (distance) P-C4' energy: -9.426 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -12.056 tors. eta vs tors. theta energy: -5.668 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: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -221.903338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.903338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.903338 (E_RNA) where: Base-Base interactions energy: -150.518 where: short stacking energy: -66.862 Base-Backbone interact. energy: -0.014 local terms energy: -71.371922 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -11.955 tors. eta vs tors. theta energy: -17.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -214.686339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.686339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.686339 (E_RNA) where: Base-Base interactions energy: -147.706 where: short stacking energy: -61.269 Base-Backbone interact. energy: -0.001 local terms energy: -66.979028 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -9.927 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -10.697 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: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -216.108775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.108775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.108775 (E_RNA) where: Base-Base interactions energy: -146.261 where: short stacking energy: -67.734 Base-Backbone interact. energy: -0.631 local terms energy: -69.216743 where: bonds (distance) C4'-P energy: -10.168 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -12.548 tors. eta vs tors. theta energy: -17.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -212.717749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.717749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.717749 (E_RNA) where: Base-Base interactions energy: -152.552 where: short stacking energy: -54.817 Base-Backbone interact. energy: -0.018 local terms energy: -60.148528 where: bonds (distance) C4'-P energy: -10.793 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -14.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -206.096794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.096794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.096794 (E_RNA) where: Base-Base interactions energy: -139.709 where: short stacking energy: -62.504 Base-Backbone interact. energy: -0.092 local terms energy: -66.296035 where: bonds (distance) C4'-P energy: -10.955 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -9.079 tors. eta vs tors. theta energy: -18.902 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: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -194.792207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.792207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.792207 (E_RNA) where: Base-Base interactions energy: -134.260 where: short stacking energy: -51.015 Base-Backbone interact. energy: 0.800 local terms energy: -61.332032 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -11.541 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -15.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -194.279223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.279223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.279223 (E_RNA) where: Base-Base interactions energy: -133.136 where: short stacking energy: -54.060 Base-Backbone interact. energy: -0.010 local terms energy: -61.133066 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -14.721 flat angles C4'-P-C4' energy: -11.948 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -13.385 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: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -194.307819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.307819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.307819 (E_RNA) where: Base-Base interactions energy: -129.521 where: short stacking energy: -51.113 Base-Backbone interact. energy: -0.066 local terms energy: -64.720214 where: bonds (distance) C4'-P energy: -13.861 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -11.643 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -13.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -74.766802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.766802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.766802 (E_RNA) where: Base-Base interactions energy: -30.725 where: short stacking energy: -21.995 Base-Backbone interact. energy: -0.531 local terms energy: -43.510673 where: bonds (distance) C4'-P energy: -14.610 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -3.528 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: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -68.323275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.323275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.323275 (E_RNA) where: Base-Base interactions energy: -23.124 where: short stacking energy: -23.124 Base-Backbone interact. energy: 0.342 local terms energy: -45.541418 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -12.442 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -7.018 tors. eta vs tors. theta energy: 0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -227.469427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.469427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.469427 (E_RNA) where: Base-Base interactions energy: -148.808 where: short stacking energy: -66.560 Base-Backbone interact. energy: -0.938 local terms energy: -77.722588 where: bonds (distance) C4'-P energy: -15.223 bonds (distance) P-C4' energy: -16.072 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -10.830 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: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -215.736557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.736557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.736557 (E_RNA) where: Base-Base interactions energy: -147.298 where: short stacking energy: -62.064 Base-Backbone interact. energy: -0.013 local terms energy: -68.425424 where: bonds (distance) C4'-P energy: -11.923 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -14.491 flat angles P-C4'-P energy: -7.489 tors. eta vs tors. theta energy: -17.875 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: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -211.402415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.402415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.402415 (E_RNA) where: Base-Base interactions energy: -146.051 where: short stacking energy: -61.687 Base-Backbone interact. energy: -0.092 local terms energy: -65.259503 where: bonds (distance) C4'-P energy: -10.444 bonds (distance) P-C4' energy: -10.295 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -13.364 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: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -202.810948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.810948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.810948 (E_RNA) where: Base-Base interactions energy: -134.989 where: short stacking energy: -59.360 Base-Backbone interact. energy: -0.051 local terms energy: -67.770405 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -11.012 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -12.486 tors. eta vs tors. theta energy: -15.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -208.453207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.453207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.453207 (E_RNA) where: Base-Base interactions energy: -140.610 where: short stacking energy: -58.064 Base-Backbone interact. energy: -0.607 local terms energy: -67.236021 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -12.295 tors. eta vs tors. theta energy: -17.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -205.739323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.739323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.739323 (E_RNA) where: Base-Base interactions energy: -137.753 where: short stacking energy: -57.851 Base-Backbone interact. energy: -0.002 local terms energy: -67.983967 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -14.405 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -18.147 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: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -200.657455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.657455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.657455 (E_RNA) where: Base-Base interactions energy: -135.616 where: short stacking energy: -59.870 Base-Backbone interact. energy: -0.048 local terms energy: -64.993787 where: bonds (distance) C4'-P energy: -9.510 bonds (distance) P-C4' energy: -14.362 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -11.267 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: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -171.190446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.190446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.190446 (E_RNA) where: Base-Base interactions energy: -118.217 where: short stacking energy: -44.214 Base-Backbone interact. energy: -0.725 local terms energy: -52.248445 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -9.100 flat angles C4'-P-C4' energy: -9.607 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -10.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -85.029171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.029171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.029171 (E_RNA) where: Base-Base interactions energy: -33.960 where: short stacking energy: -28.145 Base-Backbone interact. energy: -1.067 local terms energy: -50.002423 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -10.863 flat angles P-C4'-P energy: -5.244 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: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -76.398706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.398706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.398706 (E_RNA) where: Base-Base interactions energy: -32.575 where: short stacking energy: -27.788 Base-Backbone interact. energy: 0.724 local terms energy: -44.548463 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -4.497 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: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -222.846539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.846539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.846539 (E_RNA) where: Base-Base interactions energy: -147.836 where: short stacking energy: -61.950 Base-Backbone interact. energy: -0.011 local terms energy: -75.000020 where: bonds (distance) C4'-P energy: -15.587 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -10.593 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: 2, replica: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -212.976440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.976440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.976440 (E_RNA) where: Base-Base interactions energy: -144.548 where: short stacking energy: -63.077 Base-Backbone interact. energy: -0.003 local terms energy: -68.425278 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -14.527 flat angles C4'-P-C4' energy: -14.458 flat angles P-C4'-P energy: -8.743 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: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -212.794173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.794173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.794173 (E_RNA) where: Base-Base interactions energy: -140.470 where: short stacking energy: -59.730 Base-Backbone interact. energy: -0.004 local terms energy: -72.319940 where: bonds (distance) C4'-P energy: -15.384 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -10.886 tors. eta vs tors. theta energy: -17.361 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: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -214.248576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.248576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.248576 (E_RNA) where: Base-Base interactions energy: -146.655 where: short stacking energy: -61.790 Base-Backbone interact. energy: -0.005 local terms energy: -67.588732 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -11.879 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -10.315 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: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -201.151681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.151681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.151681 (E_RNA) where: Base-Base interactions energy: -139.995 where: short stacking energy: -56.251 Base-Backbone interact. energy: -1.425 local terms energy: -59.731602 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -12.476 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: 6, replica: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -205.313394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.313394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.313394 (E_RNA) where: Base-Base interactions energy: -142.280 where: short stacking energy: -63.895 Base-Backbone interact. energy: -0.215 local terms energy: -62.818513 where: bonds (distance) C4'-P energy: -9.642 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -16.146 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -17.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -200.558228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.558228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.558228 (E_RNA) where: Base-Base interactions energy: -139.152 where: short stacking energy: -62.130 Base-Backbone interact. energy: -0.001 local terms energy: -61.405158 where: bonds (distance) C4'-P energy: -14.516 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -13.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -160.980238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.980238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.980238 (E_RNA) where: Base-Base interactions energy: -110.057 where: short stacking energy: -44.566 Base-Backbone interact. energy: -0.066 local terms energy: -50.856758 where: bonds (distance) C4'-P energy: -14.536 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -8.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -77.258394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.258394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.258394 (E_RNA) where: Base-Base interactions energy: -35.705 where: short stacking energy: -32.531 Base-Backbone interact. energy: -0.098 local terms energy: -41.455519 where: bonds (distance) C4'-P energy: -9.924 bonds (distance) P-C4' energy: -8.992 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -6.098 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: 437 Temperature: 1.350000 Total energy: -65.581023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.581023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.581023 (E_RNA) where: Base-Base interactions energy: -25.041 where: short stacking energy: -18.790 Base-Backbone interact. energy: -0.111 local terms energy: -40.429131 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: 1.832 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: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -218.761298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.761298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.761298 (E_RNA) where: Base-Base interactions energy: -147.452 where: short stacking energy: -64.668 Base-Backbone interact. energy: -0.779 local terms energy: -70.530424 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -11.600 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: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -217.266103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.266103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.266103 (E_RNA) where: Base-Base interactions energy: -146.159 where: short stacking energy: -62.015 Base-Backbone interact. energy: -0.119 local terms energy: -70.988301 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -11.653 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -13.532 tors. eta vs tors. theta energy: -20.007 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: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -216.392091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.392091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.392091 (E_RNA) where: Base-Base interactions energy: -145.546 where: short stacking energy: -60.581 Base-Backbone interact. energy: -0.040 local terms energy: -70.806395 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -13.568 flat angles P-C4'-P energy: -12.134 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: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -205.124720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.124720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.124720 (E_RNA) where: Base-Base interactions energy: -138.870 where: short stacking energy: -58.468 Base-Backbone interact. energy: -0.095 local terms energy: -66.159735 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -16.263 flat angles P-C4'-P energy: -8.438 tors. eta vs tors. theta energy: -15.579 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: 9 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -202.167782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.167782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.167782 (E_RNA) where: Base-Base interactions energy: -142.689 where: short stacking energy: -58.956 Base-Backbone interact. energy: 0.163 local terms energy: -59.642186 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -9.159 flat angles C4'-P-C4' energy: -15.742 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -12.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -198.171845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.171845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.171845 (E_RNA) where: Base-Base interactions energy: -138.090 where: short stacking energy: -57.943 Base-Backbone interact. energy: -0.487 local terms energy: -59.595444 where: bonds (distance) C4'-P energy: -11.468 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -15.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -199.442553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.442553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.442553 (E_RNA) where: Base-Base interactions energy: -132.291 where: short stacking energy: -52.673 Base-Backbone interact. energy: -0.664 local terms energy: -66.487448 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -13.312 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: 3 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -190.816167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.816167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.816167 (E_RNA) where: Base-Base interactions energy: -128.884 where: short stacking energy: -53.859 Base-Backbone interact. energy: -0.082 local terms energy: -61.850436 where: bonds (distance) C4'-P energy: -11.145 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -8.949 tors. eta vs tors. theta energy: -14.888 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: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -96.026467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.026467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.026467 (E_RNA) where: Base-Base interactions energy: -48.480 where: short stacking energy: -35.994 Base-Backbone interact. energy: -0.037 local terms energy: -47.509611 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -8.842 flat angles C4'-P-C4' energy: -10.562 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -74.409608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.409608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.409608 (E_RNA) where: Base-Base interactions energy: -28.086 where: short stacking energy: -17.887 Base-Backbone interact. energy: -0.844 local terms energy: -45.479549 where: bonds (distance) C4'-P energy: -13.957 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -4.014 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: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -222.547279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.547279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.547279 (E_RNA) where: Base-Base interactions energy: -151.818 where: short stacking energy: -70.187 Base-Backbone interact. energy: 0.105 local terms energy: -70.835219 where: bonds (distance) C4'-P energy: -10.074 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -16.398 flat angles P-C4'-P energy: -11.065 tors. eta vs tors. theta energy: -20.714 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: 439 Temperature: 0.950000 Total energy: -216.737238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.737238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.737238 (E_RNA) where: Base-Base interactions energy: -151.177 where: short stacking energy: -68.362 Base-Backbone interact. energy: -0.037 local terms energy: -65.523328 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -12.961 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -16.864 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: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -209.570117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.570117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.570117 (E_RNA) where: Base-Base interactions energy: -145.218 where: short stacking energy: -62.198 Base-Backbone interact. energy: -0.038 local terms energy: -64.314120 where: bonds (distance) C4'-P energy: -9.270 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -9.240 tors. eta vs tors. theta energy: -17.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -205.404439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.404439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.404439 (E_RNA) where: Base-Base interactions energy: -142.059 where: short stacking energy: -57.568 Base-Backbone interact. energy: -0.013 local terms energy: -63.332400 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -15.058 flat angles P-C4'-P energy: -11.778 tors. eta vs tors. theta energy: -16.548 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: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -201.535747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.535747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.535747 (E_RNA) where: Base-Base interactions energy: -140.197 where: short stacking energy: -54.147 Base-Backbone interact. energy: -0.093 local terms energy: -61.246002 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -16.274 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -7.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -201.569237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.569237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.569237 (E_RNA) where: Base-Base interactions energy: -138.876 where: short stacking energy: -57.843 Base-Backbone interact. energy: -0.021 local terms energy: -62.672344 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -17.603 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -8.936 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: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -200.517658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.517658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.517658 (E_RNA) where: Base-Base interactions energy: -136.975 where: short stacking energy: -57.018 Base-Backbone interact. energy: 1.818 local terms energy: -65.360299 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -14.830 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: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -202.228831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.228831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.228831 (E_RNA) where: Base-Base interactions energy: -133.892 where: short stacking energy: -58.819 Base-Backbone interact. energy: -0.095 local terms energy: -68.241697 where: bonds (distance) C4'-P energy: -14.589 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: -15.725 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: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -78.287464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.287464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.287464 (E_RNA) where: Base-Base interactions energy: -25.976 where: short stacking energy: -24.845 Base-Backbone interact. energy: -0.109 local terms energy: -52.202443 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -12.966 flat angles C4'-P-C4' energy: -11.667 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -78.644403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.644403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.644403 (E_RNA) where: Base-Base interactions energy: -30.829 where: short stacking energy: -30.829 Base-Backbone interact. energy: -0.120 local terms energy: -47.695527 where: bonds (distance) C4'-P energy: -9.829 bonds (distance) P-C4' energy: -10.988 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -7.250 tors. eta vs tors. theta energy: -8.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -221.785811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.785811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.785811 (E_RNA) where: Base-Base interactions energy: -151.564 where: short stacking energy: -66.513 Base-Backbone interact. energy: -0.408 local terms energy: -69.814190 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -15.410 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -11.282 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: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -216.398164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.398164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.398164 (E_RNA) where: Base-Base interactions energy: -147.604 where: short stacking energy: -67.818 Base-Backbone interact. energy: -0.024 local terms energy: -68.769836 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -13.527 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -9.589 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: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -214.756416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.756416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.756416 (E_RNA) where: Base-Base interactions energy: -141.397 where: short stacking energy: -62.734 Base-Backbone interact. energy: -0.002 local terms energy: -73.357831 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -17.984 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: 440 Temperature: 1.050000 Total energy: -212.106318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.106318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.106318 (E_RNA) where: Base-Base interactions energy: -146.919 where: short stacking energy: -65.093 Base-Backbone interact. energy: 0.753 local terms energy: -65.939650 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -9.554 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: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -207.665963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.665963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.665963 (E_RNA) where: Base-Base interactions energy: -139.551 where: short stacking energy: -59.959 Base-Backbone interact. energy: -0.014 local terms energy: -68.101064 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -16.483 flat angles P-C4'-P energy: -4.474 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: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -203.906839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.906839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.906839 (E_RNA) where: Base-Base interactions energy: -140.926 where: short stacking energy: -62.179 Base-Backbone interact. energy: -0.006 local terms energy: -62.974804 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -7.168 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: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -202.899916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.899916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.899916 (E_RNA) where: Base-Base interactions energy: -139.788 where: short stacking energy: -58.833 Base-Backbone interact. energy: -0.318 local terms energy: -62.794330 where: bonds (distance) C4'-P energy: -9.166 bonds (distance) P-C4' energy: -14.820 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -5.031 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: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -193.276288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.276288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.276288 (E_RNA) where: Base-Base interactions energy: -132.578 where: short stacking energy: -56.281 Base-Backbone interact. energy: -0.686 local terms energy: -60.012848 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -19.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -77.831724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.831724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.831724 (E_RNA) where: Base-Base interactions energy: -32.593 where: short stacking energy: -21.101 Base-Backbone interact. energy: -0.038 local terms energy: -45.200703 where: bonds (distance) C4'-P energy: -11.854 bonds (distance) P-C4' energy: -9.699 flat angles C4'-P-C4' energy: -11.914 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -71.273676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.273676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.273676 (E_RNA) where: Base-Base interactions energy: -26.252 where: short stacking energy: -23.368 Base-Backbone interact. energy: 0.674 local terms energy: -45.695642 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -15.959 flat angles C4'-P-C4' energy: -10.924 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: 1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -223.343052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.343052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.343052 (E_RNA) where: Base-Base interactions energy: -153.608 where: short stacking energy: -69.159 Base-Backbone interact. energy: -0.018 local terms energy: -69.717400 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -18.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -221.908147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.908147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.908147 (E_RNA) where: Base-Base interactions energy: -147.659 where: short stacking energy: -63.861 Base-Backbone interact. energy: -0.007 local terms energy: -74.241960 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -15.592 flat angles P-C4'-P energy: -9.936 tors. eta vs tors. theta energy: -17.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -217.391447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.391447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.391447 (E_RNA) where: Base-Base interactions energy: -141.251 where: short stacking energy: -69.526 Base-Backbone interact. energy: -0.007 local terms energy: -76.133568 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -14.236 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -12.483 tors. eta vs tors. theta energy: -20.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -213.898544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.898544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.898544 (E_RNA) where: Base-Base interactions energy: -141.957 where: short stacking energy: -68.310 Base-Backbone interact. energy: -0.039 local terms energy: -71.902153 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -16.442 flat angles P-C4'-P energy: -8.244 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: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -203.867633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.867633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.867633 (E_RNA) where: Base-Base interactions energy: -140.916 where: short stacking energy: -59.235 Base-Backbone interact. energy: -0.426 local terms energy: -62.524942 where: bonds (distance) C4'-P energy: -11.142 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -14.100 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -16.631 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: 3 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -205.073533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.073533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.073533 (E_RNA) where: Base-Base interactions energy: -139.196 where: short stacking energy: -58.818 Base-Backbone interact. energy: -0.301 local terms energy: -65.576698 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -8.831 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -10.584 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: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -202.891338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.891338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.891338 (E_RNA) where: Base-Base interactions energy: -141.375 where: short stacking energy: -57.368 Base-Backbone interact. energy: -0.049 local terms energy: -61.467700 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -11.399 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -17.298 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: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -197.818457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.818457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.818457 (E_RNA) where: Base-Base interactions energy: -132.598 where: short stacking energy: -59.232 Base-Backbone interact. energy: -0.100 local terms energy: -65.120525 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -14.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -76.382280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.382280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.382280 (E_RNA) where: Base-Base interactions energy: -32.876 where: short stacking energy: -26.045 Base-Backbone interact. energy: -0.061 local terms energy: -43.444463 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -6.775 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: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -79.285790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.285790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.285790 (E_RNA) where: Base-Base interactions energy: -30.124 where: short stacking energy: -30.078 Base-Backbone interact. energy: -0.134 local terms energy: -49.027490 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -10.887 flat angles C4'-P-C4' energy: -8.879 flat angles P-C4'-P energy: -7.122 tors. eta vs tors. theta energy: -8.887 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: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -220.902130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.902130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.902130 (E_RNA) where: Base-Base interactions energy: -146.308 where: short stacking energy: -62.295 Base-Backbone interact. energy: -0.400 local terms energy: -74.193678 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -16.469 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -11.795 tors. eta vs tors. theta energy: -16.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -215.281766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.281766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.281766 (E_RNA) where: Base-Base interactions energy: -147.586 where: short stacking energy: -64.906 Base-Backbone interact. energy: -0.001 local terms energy: -67.694798 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -10.557 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: 4 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -208.966331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.966331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.966331 (E_RNA) where: Base-Base interactions energy: -144.819 where: short stacking energy: -61.243 Base-Backbone interact. energy: -0.167 local terms energy: -63.980818 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: -16.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -210.997424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.997424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.997424 (E_RNA) where: Base-Base interactions energy: -139.417 where: short stacking energy: -60.115 Base-Backbone interact. energy: -0.044 local terms energy: -71.536326 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -14.263 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -18.873 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: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -211.471674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.471674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.471674 (E_RNA) where: Base-Base interactions energy: -140.635 where: short stacking energy: -59.510 Base-Backbone interact. energy: -0.241 local terms energy: -70.595458 where: bonds (distance) C4'-P energy: -14.987 bonds (distance) P-C4' energy: -14.497 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -19.118 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: 6, replica: 3 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -199.096449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.096449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.096449 (E_RNA) where: Base-Base interactions energy: -137.977 where: short stacking energy: -59.460 Base-Backbone interact. energy: -0.216 local terms energy: -60.903391 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -10.981 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -16.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -196.703597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.703597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.703597 (E_RNA) where: Base-Base interactions energy: -134.265 where: short stacking energy: -55.152 Base-Backbone interact. energy: -0.006 local terms energy: -62.432233 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -17.037 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: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -200.101633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.101633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.101633 (E_RNA) where: Base-Base interactions energy: -140.677 where: short stacking energy: -59.685 Base-Backbone interact. energy: -0.141 local terms energy: -59.283604 where: bonds (distance) C4'-P energy: -11.249 bonds (distance) P-C4' energy: -10.868 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -17.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -74.125036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.125036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.125036 (E_RNA) where: Base-Base interactions energy: -27.304 where: short stacking energy: -27.304 Base-Backbone interact. energy: -0.014 local terms energy: -46.806768 where: bonds (distance) C4'-P energy: -13.336 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -82.771105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.771105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.771105 (E_RNA) where: Base-Base interactions energy: -34.401 where: short stacking energy: -34.401 Base-Backbone interact. energy: -0.154 local terms energy: -48.215691 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -7.446 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -8.915 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -226.903578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.903578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.903578 (E_RNA) where: Base-Base interactions energy: -155.559 where: short stacking energy: -67.556 Base-Backbone interact. energy: -0.610 local terms energy: -70.734574 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -12.059 flat angles P-C4'-P energy: -10.477 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: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -218.036586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.036586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.036586 (E_RNA) where: Base-Base interactions energy: -145.674 where: short stacking energy: -66.722 Base-Backbone interact. energy: -0.380 local terms energy: -71.981725 where: bonds (distance) C4'-P energy: -15.243 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -10.449 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: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -205.019832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.019832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.019832 (E_RNA) where: Base-Base interactions energy: -144.597 where: short stacking energy: -60.550 Base-Backbone interact. energy: -0.302 local terms energy: -60.121038 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -10.903 flat angles C4'-P-C4' energy: -10.805 flat angles P-C4'-P energy: -11.462 tors. eta vs tors. theta energy: -14.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -205.619155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.619155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.619155 (E_RNA) where: Base-Base interactions energy: -134.462 where: short stacking energy: -58.435 Base-Backbone interact. energy: -0.040 local terms energy: -71.117206 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -13.875 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -11.519 tors. eta vs tors. theta energy: -18.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -202.801921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.801921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.801921 (E_RNA) where: Base-Base interactions energy: -136.200 where: short stacking energy: -58.581 Base-Backbone interact. energy: -0.055 local terms energy: -66.546625 where: bonds (distance) C4'-P energy: -8.771 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -13.215 flat angles P-C4'-P energy: -10.545 tors. eta vs tors. theta energy: -19.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -202.714671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.714671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.714671 (E_RNA) where: Base-Base interactions energy: -137.794 where: short stacking energy: -60.144 Base-Backbone interact. energy: -0.087 local terms energy: -64.833551 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -11.605 tors. eta vs tors. theta energy: -16.899 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: 3 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -170.766800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.766800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.766800 (E_RNA) where: Base-Base interactions energy: -118.340 where: short stacking energy: -53.466 Base-Backbone interact. energy: -0.068 local terms energy: -52.358877 where: bonds (distance) C4'-P energy: -8.378 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -13.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -191.488495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.488495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.488495 (E_RNA) where: Base-Base interactions energy: -132.468 where: short stacking energy: -49.887 Base-Backbone interact. energy: -0.051 local terms energy: -58.968879 where: bonds (distance) C4'-P energy: -6.003 bonds (distance) P-C4' energy: -8.970 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -13.153 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -97.932308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.932308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.932308 (E_RNA) where: Base-Base interactions energy: -42.292 where: short stacking energy: -36.964 Base-Backbone interact. energy: -0.002 local terms energy: -55.638010 where: bonds (distance) C4'-P energy: -15.173 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -9.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -70.781278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.781278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.781278 (E_RNA) where: Base-Base interactions energy: -25.917 where: short stacking energy: -18.423 Base-Backbone interact. energy: -0.038 local terms energy: -44.826253 where: bonds (distance) C4'-P energy: -9.757 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -8.760 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: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -219.724378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.724378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.724378 (E_RNA) where: Base-Base interactions energy: -149.216 where: short stacking energy: -62.928 Base-Backbone interact. energy: 0.098 local terms energy: -70.605960 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -11.679 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: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -217.416419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.416419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.416419 (E_RNA) where: Base-Base interactions energy: -148.110 where: short stacking energy: -63.453 Base-Backbone interact. energy: -0.145 local terms energy: -69.161416 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -12.644 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -18.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -213.079324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.079324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.079324 (E_RNA) where: Base-Base interactions energy: -150.322 where: short stacking energy: -66.158 Base-Backbone interact. energy: -0.003 local terms energy: -62.754279 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -10.449 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -19.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -208.966700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.966700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.966700 (E_RNA) where: Base-Base interactions energy: -143.844 where: short stacking energy: -61.616 Base-Backbone interact. energy: -0.241 local terms energy: -64.882105 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -12.072 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -20.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -204.401915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.401915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.401915 (E_RNA) where: Base-Base interactions energy: -139.589 where: short stacking energy: -61.133 Base-Backbone interact. energy: -0.052 local terms energy: -64.760601 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -17.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -201.280944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.280944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.280944 (E_RNA) where: Base-Base interactions energy: -132.010 where: short stacking energy: -57.549 Base-Backbone interact. energy: -0.123 local terms energy: -69.148333 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -13.029 flat angles P-C4'-P energy: -8.307 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: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -197.724426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.724426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.724426 (E_RNA) where: Base-Base interactions energy: -134.703 where: short stacking energy: -60.522 Base-Backbone interact. energy: -0.002 local terms energy: -63.020025 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -14.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -175.657558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.657558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.657558 (E_RNA) where: Base-Base interactions energy: -121.687 where: short stacking energy: -56.011 Base-Backbone interact. energy: -0.101 local terms energy: -53.869050 where: bonds (distance) C4'-P energy: -6.048 bonds (distance) P-C4' energy: -10.503 flat angles C4'-P-C4' energy: -10.436 flat angles P-C4'-P energy: -9.645 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: 9, replica: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -76.142508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.142508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.142508 (E_RNA) where: Base-Base interactions energy: -24.779 where: short stacking energy: -24.879 Base-Backbone interact. energy: -0.102 local terms energy: -51.262024 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -11.529 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -7.515 tors. eta vs tors. theta energy: -6.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -71.865831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.865831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.865831 (E_RNA) where: Base-Base interactions energy: -22.727 where: short stacking energy: -15.691 Base-Backbone interact. energy: -0.149 local terms energy: -48.989892 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -11.792 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -11.434 tors. eta vs tors. theta energy: 1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -223.158915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.158915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.158915 (E_RNA) where: Base-Base interactions energy: -149.375 where: short stacking energy: -65.816 Base-Backbone interact. energy: -0.022 local terms energy: -73.761513 where: bonds (distance) C4'-P energy: -10.196 bonds (distance) P-C4' energy: -17.052 flat angles C4'-P-C4' energy: -15.664 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -19.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -213.278738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.278738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.278738 (E_RNA) where: Base-Base interactions energy: -142.010 where: short stacking energy: -60.235 Base-Backbone interact. energy: -0.084 local terms energy: -71.185185 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -20.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -215.757499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.757499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.757499 (E_RNA) where: Base-Base interactions energy: -143.591 where: short stacking energy: -61.055 Base-Backbone interact. energy: -0.898 local terms energy: -71.268734 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -15.723 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -19.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -207.045370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.045370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.045370 (E_RNA) where: Base-Base interactions energy: -143.329 where: short stacking energy: -62.478 Base-Backbone interact. energy: -0.248 local terms energy: -63.468275 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -14.518 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -16.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -207.276857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.276857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.276857 (E_RNA) where: Base-Base interactions energy: -140.668 where: short stacking energy: -59.983 Base-Backbone interact. energy: -0.588 local terms energy: -66.020826 where: bonds (distance) C4'-P energy: -13.144 bonds (distance) P-C4' energy: -10.166 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -9.743 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: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -205.444845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.444845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.444845 (E_RNA) where: Base-Base interactions energy: -139.164 where: short stacking energy: -57.653 Base-Backbone interact. energy: -0.245 local terms energy: -66.035896 where: bonds (distance) C4'-P energy: -9.114 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -10.716 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: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -185.512787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.512787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.512787 (E_RNA) where: Base-Base interactions energy: -133.356 where: short stacking energy: -50.288 Base-Backbone interact. energy: -0.352 local terms energy: -51.805217 where: bonds (distance) C4'-P energy: -14.553 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -10.619 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -179.002338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.002338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.002338 (E_RNA) where: Base-Base interactions energy: -118.194 where: short stacking energy: -49.654 Base-Backbone interact. energy: -0.012 local terms energy: -60.796124 where: bonds (distance) C4'-P energy: -9.315 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -16.096 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: 445 Temperature: 1.300000 Total energy: -87.125288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.125288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.125288 (E_RNA) where: Base-Base interactions energy: -33.126 where: short stacking energy: -33.126 Base-Backbone interact. energy: -0.143 local terms energy: -53.856772 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -10.088 flat angles P-C4'-P energy: -9.797 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: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -65.071621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.071621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.071621 (E_RNA) where: Base-Base interactions energy: -24.548 where: short stacking energy: -24.548 Base-Backbone interact. energy: -0.024 local terms energy: -40.499527 where: bonds (distance) C4'-P energy: -14.916 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -5.899 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: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -221.929161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.929161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.929161 (E_RNA) where: Base-Base interactions energy: -152.420 where: short stacking energy: -62.872 Base-Backbone interact. energy: -0.036 local terms energy: -69.473156 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -16.667 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -18.546 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: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -221.175835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.175835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.175835 (E_RNA) where: Base-Base interactions energy: -148.954 where: short stacking energy: -67.689 Base-Backbone interact. energy: -0.015 local terms energy: -72.207230 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -12.842 tors. eta vs tors. theta energy: -18.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -213.326520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.326520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.326520 (E_RNA) where: Base-Base interactions energy: -147.328 where: short stacking energy: -62.706 Base-Backbone interact. energy: -0.661 local terms energy: -65.338413 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -7.412 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: 4, replica: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -203.440749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.440749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.440749 (E_RNA) where: Base-Base interactions energy: -137.706 where: short stacking energy: -57.140 Base-Backbone interact. energy: -0.134 local terms energy: -65.601166 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -9.625 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -15.732 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: 446 Temperature: 1.100000 Total energy: -208.382480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.382480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.382480 (E_RNA) where: Base-Base interactions energy: -149.834 where: short stacking energy: -62.785 Base-Backbone interact. energy: -0.053 local terms energy: -58.495670 where: bonds (distance) C4'-P energy: -9.925 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -4.961 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: 6, replica: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -195.992437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.992437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.992437 (E_RNA) where: Base-Base interactions energy: -129.795 where: short stacking energy: -50.111 Base-Backbone interact. energy: -0.589 local terms energy: -65.608807 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -11.848 tors. eta vs tors. theta energy: -11.488 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: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -198.218450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.218450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.218450 (E_RNA) where: Base-Base interactions energy: -134.077 where: short stacking energy: -57.643 Base-Backbone interact. energy: -0.332 local terms energy: -63.809003 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -12.354 flat angles P-C4'-P energy: -10.812 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: 8, replica: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -168.690814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.690814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.690814 (E_RNA) where: Base-Base interactions energy: -120.464 where: short stacking energy: -54.999 Base-Backbone interact. energy: -0.004 local terms energy: -48.222827 where: bonds (distance) C4'-P energy: -10.221 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -14.320 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: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -79.933530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.933530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.933530 (E_RNA) where: Base-Base interactions energy: -29.259 where: short stacking energy: -29.259 Base-Backbone interact. energy: -0.198 local terms energy: -50.477221 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -14.988 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -5.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -78.729959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.729959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.729959 (E_RNA) where: Base-Base interactions energy: -31.187 where: short stacking energy: -20.032 Base-Backbone interact. energy: -0.731 local terms energy: -46.812050 where: bonds (distance) C4'-P energy: -15.811 bonds (distance) P-C4' energy: -12.952 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -3.478 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: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -225.155184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.155184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.155184 (E_RNA) where: Base-Base interactions energy: -155.895 where: short stacking energy: -68.625 Base-Backbone interact. energy: -0.203 local terms energy: -69.057733 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -10.601 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -12.283 tors. eta vs tors. theta energy: -19.329 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: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -223.652563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.652563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.652563 (E_RNA) where: Base-Base interactions energy: -149.820 where: short stacking energy: -67.565 Base-Backbone interact. energy: -0.000 local terms energy: -73.832541 where: bonds (distance) C4'-P energy: -15.323 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -15.953 flat angles P-C4'-P energy: -11.287 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: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -216.228678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.228678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.228678 (E_RNA) where: Base-Base interactions energy: -153.093 where: short stacking energy: -64.982 Base-Backbone interact. energy: -0.139 local terms energy: -62.996230 where: bonds (distance) C4'-P energy: -7.419 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -14.973 flat angles P-C4'-P energy: -10.397 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: 4, replica: 6 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -204.014183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.014183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.014183 (E_RNA) where: Base-Base interactions energy: -131.990 where: short stacking energy: -58.702 Base-Backbone interact. energy: -0.413 local terms energy: -71.611233 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -12.325 tors. eta vs tors. theta energy: -19.601 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: 5 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -210.315811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.315811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.315811 (E_RNA) where: Base-Base interactions energy: -140.166 where: short stacking energy: -59.297 Base-Backbone interact. energy: -0.103 local terms energy: -70.046900 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -14.883 flat angles P-C4'-P energy: -11.929 tors. eta vs tors. theta energy: -18.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -205.482079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.482079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.482079 (E_RNA) where: Base-Base interactions energy: -143.524 where: short stacking energy: -63.033 Base-Backbone interact. energy: -0.616 local terms energy: -61.342385 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -10.265 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -10.357 tors. eta vs tors. theta energy: -19.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -207.303668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.303668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.303668 (E_RNA) where: Base-Base interactions energy: -141.747 where: short stacking energy: -59.584 Base-Backbone interact. energy: 0.306 local terms energy: -65.862459 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -11.967 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -10.463 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: 8, replica: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -150.921516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.921516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.921516 (E_RNA) where: Base-Base interactions energy: -100.184 where: short stacking energy: -42.413 Base-Backbone interact. energy: -0.186 local terms energy: -50.551465 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -8.395 tors. eta vs tors. theta energy: -6.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -77.884303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.884303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.884303 (E_RNA) where: Base-Base interactions energy: -30.315 where: short stacking energy: -30.315 Base-Backbone interact. energy: -0.007 local terms energy: -47.562219 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -10.771 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -79.206412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.206412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.206412 (E_RNA) where: Base-Base interactions energy: -33.096 where: short stacking energy: -32.867 Base-Backbone interact. energy: -1.346 local terms energy: -44.764338 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -10.719 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -6.651 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: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -225.064015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.064015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.064015 (E_RNA) where: Base-Base interactions energy: -155.649 where: short stacking energy: -69.071 Base-Backbone interact. energy: -0.003 local terms energy: -69.412258 where: bonds (distance) C4'-P energy: -11.551 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -20.669 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: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -222.891936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.891936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.891936 (E_RNA) where: Base-Base interactions energy: -151.629 where: short stacking energy: -68.539 Base-Backbone interact. energy: -0.005 local terms energy: -71.257359 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -20.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -218.221987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.221987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.221987 (E_RNA) where: Base-Base interactions energy: -150.946 where: short stacking energy: -60.482 Base-Backbone interact. energy: -0.033 local terms energy: -67.243184 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -7.632 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: 4, replica: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -213.891907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.891907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.891907 (E_RNA) where: Base-Base interactions energy: -148.109 where: short stacking energy: -65.591 Base-Backbone interact. energy: -0.012 local terms energy: -65.771032 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -20.067 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: 5 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -205.894749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.894749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.894749 (E_RNA) where: Base-Base interactions energy: -143.539 where: short stacking energy: -63.276 Base-Backbone interact. energy: -0.280 local terms energy: -62.075271 where: bonds (distance) C4'-P energy: -10.856 bonds (distance) P-C4' energy: -11.792 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -8.444 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: 9 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -203.523138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.523138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.523138 (E_RNA) where: Base-Base interactions energy: -137.050 where: short stacking energy: -52.634 Base-Backbone interact. energy: -0.220 local terms energy: -66.252613 where: bonds (distance) C4'-P energy: -9.312 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -17.123 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: 3 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -163.133395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.133395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.133395 (E_RNA) where: Base-Base interactions energy: -104.723 where: short stacking energy: -47.724 Base-Backbone interact. energy: -0.319 local terms energy: -58.090751 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -10.076 tors. eta vs tors. theta energy: -11.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -184.962459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.962459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.962459 (E_RNA) where: Base-Base interactions energy: -125.609 where: short stacking energy: -52.483 Base-Backbone interact. energy: -0.182 local terms energy: -59.171196 where: bonds (distance) C4'-P energy: -9.393 bonds (distance) P-C4' energy: -10.977 flat angles C4'-P-C4' energy: -15.605 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -75.227182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.227182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.227182 (E_RNA) where: Base-Base interactions energy: -25.553 where: short stacking energy: -25.553 Base-Backbone interact. energy: -0.068 local terms energy: -49.605920 where: bonds (distance) C4'-P energy: -12.051 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -9.562 flat angles P-C4'-P energy: -7.870 tors. eta vs tors. theta energy: -5.765 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: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -79.172985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.172985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.172985 (E_RNA) where: Base-Base interactions energy: -34.449 where: short stacking energy: -34.449 Base-Backbone interact. energy: -0.241 local terms energy: -44.483313 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -9.086 flat angles C4'-P-C4' energy: -10.356 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -221.844974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.844974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.844974 (E_RNA) where: Base-Base interactions energy: -152.501 where: short stacking energy: -69.434 Base-Backbone interact. energy: 0.235 local terms energy: -69.578785 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -11.255 tors. eta vs tors. theta energy: -19.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -220.778108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.778108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.778108 (E_RNA) where: Base-Base interactions energy: -151.398 where: short stacking energy: -66.804 Base-Backbone interact. energy: -0.341 local terms energy: -69.039463 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -14.021 flat angles P-C4'-P energy: -10.344 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: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -207.189755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.189755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.189755 (E_RNA) where: Base-Base interactions energy: -138.551 where: short stacking energy: -58.455 Base-Backbone interact. energy: -0.003 local terms energy: -68.635071 where: bonds (distance) C4'-P energy: -11.361 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -13.283 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -16.035 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: 449 Temperature: 1.050000 Total energy: -209.347376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.347376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.347376 (E_RNA) where: Base-Base interactions energy: -140.018 where: short stacking energy: -56.653 Base-Backbone interact. energy: -1.092 local terms energy: -68.237142 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -17.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -210.641600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.641600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.641600 (E_RNA) where: Base-Base interactions energy: -139.910 where: short stacking energy: -63.618 Base-Backbone interact. energy: 0.872 local terms energy: -71.603695 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -14.676 flat angles C4'-P-C4' energy: -14.591 flat angles P-C4'-P energy: -9.979 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: 6, replica: 3 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -159.549253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.549253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.549253 (E_RNA) where: Base-Base interactions energy: -111.297 where: short stacking energy: -44.373 Base-Backbone interact. energy: -0.071 local terms energy: -48.181632 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -11.167 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -9.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -193.755825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.755825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.755825 (E_RNA) where: Base-Base interactions energy: -134.365 where: short stacking energy: -53.290 Base-Backbone interact. energy: -0.012 local terms energy: -59.378096 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -11.480 flat angles P-C4'-P energy: -7.292 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: 8, replica: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -150.479669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.479669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.479669 (E_RNA) where: Base-Base interactions energy: -92.862 where: short stacking energy: -41.354 Base-Backbone interact. energy: -0.069 local terms energy: -57.547911 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -13.990 flat angles C4'-P-C4' energy: -9.498 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -11.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -82.901487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.901487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.901487 (E_RNA) where: Base-Base interactions energy: -27.177 where: short stacking energy: -27.315 Base-Backbone interact. energy: -0.030 local terms energy: -55.694408 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -14.454 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -6.318 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: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -76.365145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.365145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.365145 (E_RNA) where: Base-Base interactions energy: -24.812 where: short stacking energy: -24.812 Base-Backbone interact. energy: 0.246 local terms energy: -51.798745 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -9.200 tors. eta vs tors. theta energy: -7.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -223.974167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.974167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.974167 (E_RNA) where: Base-Base interactions energy: -147.524 where: short stacking energy: -67.372 Base-Backbone interact. energy: -0.001 local terms energy: -76.449854 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -13.034 flat angles C4'-P-C4' energy: -15.442 flat angles P-C4'-P energy: -12.953 tors. eta vs tors. theta energy: -21.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -217.757724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.757724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.757724 (E_RNA) where: Base-Base interactions energy: -145.639 where: short stacking energy: -67.979 Base-Backbone interact. energy: -0.004 local terms energy: -72.115161 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -10.589 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: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -209.953268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.953268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.953268 (E_RNA) where: Base-Base interactions energy: -141.580 where: short stacking energy: -60.833 Base-Backbone interact. energy: -0.308 local terms energy: -68.065004 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -16.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -208.984854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.984854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.984854 (E_RNA) where: Base-Base interactions energy: -142.340 where: short stacking energy: -61.665 Base-Backbone interact. energy: -0.233 local terms energy: -66.411628 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -8.582 flat angles C4'-P-C4' energy: -15.396 flat angles P-C4'-P energy: -10.709 tors. eta vs tors. theta energy: -17.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -205.453517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.453517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.453517 (E_RNA) where: Base-Base interactions energy: -145.628 where: short stacking energy: -64.767 Base-Backbone interact. energy: 1.956 local terms energy: -61.781970 where: bonds (distance) C4'-P energy: -10.023 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -18.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -202.562855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.562855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.562855 (E_RNA) where: Base-Base interactions energy: -138.338 where: short stacking energy: -55.154 Base-Backbone interact. energy: -0.596 local terms energy: -63.628818 where: bonds (distance) C4'-P energy: -10.474 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -17.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -195.454257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.454257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.454257 (E_RNA) where: Base-Base interactions energy: -137.917 where: short stacking energy: -52.749 Base-Backbone interact. energy: -0.364 local terms energy: -57.172890 where: bonds (distance) C4'-P energy: -10.279 bonds (distance) P-C4' energy: -9.834 flat angles C4'-P-C4' energy: -13.642 flat angles P-C4'-P energy: -6.067 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: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -189.538077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.538077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.538077 (E_RNA) where: Base-Base interactions energy: -133.809 where: short stacking energy: -51.899 Base-Backbone interact. energy: -0.789 local terms energy: -54.939918 where: bonds (distance) C4'-P energy: -9.671 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -5.244 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: 9, replica: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -83.205813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.205813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.205813 (E_RNA) where: Base-Base interactions energy: -38.617 where: short stacking energy: -15.868 Base-Backbone interact. energy: -1.105 local terms energy: -43.484334 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -11.421 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -8.485 tors. eta vs tors. theta energy: 0.818 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: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -65.245908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.245908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.245908 (E_RNA) where: Base-Base interactions energy: -20.336 where: short stacking energy: -17.985 Base-Backbone interact. energy: -0.016 local terms energy: -44.893833 where: bonds (distance) C4'-P energy: -10.876 bonds (distance) P-C4' energy: -14.282 flat angles C4'-P-C4' energy: -10.388 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -222.493601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.493601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.493601 (E_RNA) where: Base-Base interactions energy: -148.641 where: short stacking energy: -66.896 Base-Backbone interact. energy: -0.024 local terms energy: -73.828781 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -14.848 flat angles P-C4'-P energy: -12.103 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: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -212.371367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.371367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.371367 (E_RNA) where: Base-Base interactions energy: -142.026 where: short stacking energy: -60.718 Base-Backbone interact. energy: -0.122 local terms energy: -70.222684 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -14.003 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -20.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -213.153670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.153670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.153670 (E_RNA) where: Base-Base interactions energy: -149.021 where: short stacking energy: -62.141 Base-Backbone interact. energy: -1.028 local terms energy: -63.103790 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -10.141 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: -17.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -214.201348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.201348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.201348 (E_RNA) where: Base-Base interactions energy: -145.137 where: short stacking energy: -60.167 Base-Backbone interact. energy: -0.000 local terms energy: -69.064392 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -14.379 flat angles P-C4'-P energy: -9.134 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: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -211.437971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.437971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.437971 (E_RNA) where: Base-Base interactions energy: -140.300 where: short stacking energy: -60.399 Base-Backbone interact. energy: -0.661 local terms energy: -70.477313 where: bonds (distance) C4'-P energy: -16.005 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -17.404 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: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -201.248642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.248642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.248642 (E_RNA) where: Base-Base interactions energy: -136.810 where: short stacking energy: -60.419 Base-Backbone interact. energy: -0.000 local terms energy: -64.438514 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -10.743 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -9.674 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: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -193.807306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.807306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.807306 (E_RNA) where: Base-Base interactions energy: -131.616 where: short stacking energy: -49.651 Base-Backbone interact. energy: -0.541 local terms energy: -61.649855 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -12.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -191.798834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.798834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.798834 (E_RNA) where: Base-Base interactions energy: -131.534 where: short stacking energy: -58.923 Base-Backbone interact. energy: -0.083 local terms energy: -60.181505 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -11.790 flat angles P-C4'-P energy: -8.652 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: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -91.753796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.753796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.753796 (E_RNA) where: Base-Base interactions energy: -47.460 where: short stacking energy: -21.699 Base-Backbone interact. energy: -0.075 local terms energy: -44.219269 where: bonds (distance) C4'-P energy: -4.772 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -9.229 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: 10, replica: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -86.276214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.276214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.276214 (E_RNA) where: Base-Base interactions energy: -36.296 where: short stacking energy: -36.296 Base-Backbone interact. energy: -0.057 local terms energy: -49.923146 where: bonds (distance) C4'-P energy: -10.324 bonds (distance) P-C4' energy: -9.615 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -8.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -214.022906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.022906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.022906 (E_RNA) where: Base-Base interactions energy: -149.028 where: short stacking energy: -63.836 Base-Backbone interact. energy: -0.042 local terms energy: -64.952970 where: bonds (distance) C4'-P energy: -9.534 bonds (distance) P-C4' energy: -14.648 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -19.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -211.976921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.976921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.976921 (E_RNA) where: Base-Base interactions energy: -143.668 where: short stacking energy: -69.836 Base-Backbone interact. energy: -0.104 local terms energy: -68.204487 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -15.852 flat angles C4'-P-C4' energy: -15.040 flat angles P-C4'-P energy: -7.589 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: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -218.576892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.576892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.576892 (E_RNA) where: Base-Base interactions energy: -147.047 where: short stacking energy: -66.167 Base-Backbone interact. energy: -0.001 local terms energy: -71.528682 where: bonds (distance) C4'-P energy: -15.493 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -8.625 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: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -214.791266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.791266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.791266 (E_RNA) where: Base-Base interactions energy: -143.755 where: short stacking energy: -60.528 Base-Backbone interact. energy: -0.005 local terms energy: -71.031835 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: -17.488 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: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -202.827125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.827125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.827125 (E_RNA) where: Base-Base interactions energy: -142.539 where: short stacking energy: -63.856 Base-Backbone interact. energy: -0.018 local terms energy: -60.270339 where: bonds (distance) C4'-P energy: -9.195 bonds (distance) P-C4' energy: -10.135 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -9.422 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: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -196.151064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.151064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.151064 (E_RNA) where: Base-Base interactions energy: -130.297 where: short stacking energy: -50.458 Base-Backbone interact. energy: -0.049 local terms energy: -65.805194 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -196.639092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.639092 (E_RNA) where: Base-Base interactions energy: -133.823 where: short stacking energy: -56.020 Base-Backbone interact. energy: -0.062 local terms energy: -62.753449 where: bonds (distance) C4'-P energy: -11.675 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -8.872 flat angles P-C4'-P energy: -11.229 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: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -195.488962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.488962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.488962 (E_RNA) where: Base-Base interactions energy: -136.275 where: short stacking energy: -59.034 Base-Backbone interact. energy: -0.139 local terms energy: -59.075408 where: bonds (distance) C4'-P energy: -14.172 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -9.897 flat angles P-C4'-P energy: -7.606 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: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -80.702305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.702305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.702305 (E_RNA) where: Base-Base interactions energy: -34.179 where: short stacking energy: -24.591 Base-Backbone interact. energy: -0.098 local terms energy: -46.425679 where: bonds (distance) C4'-P energy: -10.966 bonds (distance) P-C4' energy: -15.313 flat angles C4'-P-C4' energy: -14.190 flat angles P-C4'-P energy: -5.438 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: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -65.522190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.522190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.522190 (E_RNA) where: Base-Base interactions energy: -22.388 where: short stacking energy: -21.475 Base-Backbone interact. energy: -0.612 local terms energy: -42.522681 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -9.895 flat angles C4'-P-C4' energy: -10.172 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -219.440798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.440798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.440798 (E_RNA) where: Base-Base interactions energy: -147.446 where: short stacking energy: -66.045 Base-Backbone interact. energy: -0.003 local terms energy: -71.991744 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -14.759 flat angles P-C4'-P energy: -8.629 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: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -220.337307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.337307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.337307 (E_RNA) where: Base-Base interactions energy: -153.580 where: short stacking energy: -69.352 Base-Backbone interact. energy: -0.041 local terms energy: -66.716564 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -12.702 flat angles P-C4'-P energy: -8.650 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: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -220.374549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.374549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.374549 (E_RNA) where: Base-Base interactions energy: -149.061 where: short stacking energy: -62.431 Base-Backbone interact. energy: -0.015 local terms energy: -71.299266 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -11.621 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: 4, replica: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -205.662979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.662979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.662979 (E_RNA) where: Base-Base interactions energy: -140.409 where: short stacking energy: -52.111 Base-Backbone interact. energy: -0.035 local terms energy: -65.219060 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -12.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -206.371251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.371251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.371251 (E_RNA) where: Base-Base interactions energy: -138.218 where: short stacking energy: -60.673 Base-Backbone interact. energy: -0.043 local terms energy: -68.109937 where: bonds (distance) C4'-P energy: -11.585 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -9.693 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: 6, replica: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -159.417219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.417219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.417219 (E_RNA) where: Base-Base interactions energy: -101.137 where: short stacking energy: -48.856 Base-Backbone interact. energy: -0.011 local terms energy: -58.269359 where: bonds (distance) C4'-P energy: -10.969 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -8.568 tors. eta vs tors. theta energy: -11.951 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: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -203.869481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.869481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.869481 (E_RNA) where: Base-Base interactions energy: -140.576 where: short stacking energy: -53.748 Base-Backbone interact. energy: 0.224 local terms energy: -63.517791 where: bonds (distance) C4'-P energy: -14.556 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -12.961 flat angles P-C4'-P energy: -3.950 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: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -95.601762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.601762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.601762 (E_RNA) where: Base-Base interactions energy: -39.865 where: short stacking energy: -37.260 Base-Backbone interact. energy: -0.245 local terms energy: -55.491029 where: bonds (distance) C4'-P energy: -10.085 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -11.584 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -10.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -188.409720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.409720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.409720 (E_RNA) where: Base-Base interactions energy: -127.725 where: short stacking energy: -54.662 Base-Backbone interact. energy: -0.226 local terms energy: -60.458189 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -12.317 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -12.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -69.672674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.672674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.672674 (E_RNA) where: Base-Base interactions energy: -29.083 where: short stacking energy: -28.129 Base-Backbone interact. energy: -0.094 local terms energy: -40.496256 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -0.342 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: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -220.634004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.634004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.634004 (E_RNA) where: Base-Base interactions energy: -145.670 where: short stacking energy: -62.144 Base-Backbone interact. energy: -0.100 local terms energy: -74.864340 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -11.845 tors. eta vs tors. theta energy: -18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -218.460921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.460921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.460921 (E_RNA) where: Base-Base interactions energy: -149.940 where: short stacking energy: -65.471 Base-Backbone interact. energy: -0.628 local terms energy: -67.892229 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -12.521 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -10.741 tors. eta vs tors. theta energy: -17.158 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: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -210.561412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.561412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.561412 (E_RNA) where: Base-Base interactions energy: -147.092 where: short stacking energy: -61.552 Base-Backbone interact. energy: -0.002 local terms energy: -63.468170 where: bonds (distance) C4'-P energy: -8.834 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -7.362 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: 4, replica: 4 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -214.510405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.510405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.510405 (E_RNA) where: Base-Base interactions energy: -147.157 where: short stacking energy: -65.301 Base-Backbone interact. energy: -0.002 local terms energy: -67.351657 where: bonds (distance) C4'-P energy: -13.819 bonds (distance) P-C4' energy: -11.229 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -10.861 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: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -199.099970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.099970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.099970 (E_RNA) where: Base-Base interactions energy: -131.119 where: short stacking energy: -53.677 Base-Backbone interact. energy: -0.067 local terms energy: -67.913838 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -12.682 tors. eta vs tors. theta energy: -15.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -161.941220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.941220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.941220 (E_RNA) where: Base-Base interactions energy: -106.438 where: short stacking energy: -46.502 Base-Backbone interact. energy: -0.105 local terms energy: -55.398113 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -7.328 tors. eta vs tors. theta energy: -10.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -204.791542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.791542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.791542 (E_RNA) where: Base-Base interactions energy: -141.391 where: short stacking energy: -66.068 Base-Backbone interact. energy: -0.059 local terms energy: -63.341342 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -15.878 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -7.057 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: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -86.758772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.758772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.758772 (E_RNA) where: Base-Base interactions energy: -35.613 where: short stacking energy: -29.894 Base-Backbone interact. energy: -0.109 local terms energy: -51.035903 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -8.910 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -8.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -179.662595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.662595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.662595 (E_RNA) where: Base-Base interactions energy: -118.241 where: short stacking energy: -46.456 Base-Backbone interact. energy: 0.277 local terms energy: -61.698509 where: bonds (distance) C4'-P energy: -15.579 bonds (distance) P-C4' energy: -8.586 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -14.153 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: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -70.523090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.523090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.523090 (E_RNA) where: Base-Base interactions energy: -27.133 where: short stacking energy: -27.133 Base-Backbone interact. energy: -0.091 local terms energy: -43.299459 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -221.091793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.091793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.091793 (E_RNA) where: Base-Base interactions energy: -152.311 where: short stacking energy: -66.910 Base-Backbone interact. energy: -0.017 local terms energy: -68.763362 where: bonds (distance) C4'-P energy: -10.990 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -18.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -211.675520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.675520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.675520 (E_RNA) where: Base-Base interactions energy: -146.176 where: short stacking energy: -60.897 Base-Backbone interact. energy: -0.090 local terms energy: -65.409246 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -11.300 flat angles P-C4'-P energy: -6.426 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: 3, replica: 10 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -210.740585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.740585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.740585 (E_RNA) where: Base-Base interactions energy: -147.540 where: short stacking energy: -63.499 Base-Backbone interact. energy: -0.032 local terms energy: -63.168725 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -9.756 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -17.143 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: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -210.829065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.829065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.829065 (E_RNA) where: Base-Base interactions energy: -145.195 where: short stacking energy: -67.890 Base-Backbone interact. energy: -0.325 local terms energy: -65.309417 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -13.914 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -6.752 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: 5, replica: 4 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -209.047882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.047882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.047882 (E_RNA) where: Base-Base interactions energy: -143.335 where: short stacking energy: -65.927 Base-Backbone interact. energy: -0.004 local terms energy: -65.708406 where: bonds (distance) C4'-P energy: -8.930 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -19.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -211.932119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.932119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.932119 (E_RNA) where: Base-Base interactions energy: -146.641 where: short stacking energy: -60.320 Base-Backbone interact. energy: -0.523 local terms energy: -64.767922 where: bonds (distance) C4'-P energy: -12.958 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -16.390 flat angles P-C4'-P energy: -9.947 tors. eta vs tors. theta energy: -13.554 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: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -177.679182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.679182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.679182 (E_RNA) where: Base-Base interactions energy: -128.208 where: short stacking energy: -51.532 Base-Backbone interact. energy: -0.140 local terms energy: -49.331363 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -7.871 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -7.798 tors. eta vs tors. theta energy: -12.026 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: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -194.050147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.050147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.050147 (E_RNA) where: Base-Base interactions energy: -135.798 where: short stacking energy: -58.447 Base-Backbone interact. energy: -0.279 local terms energy: -57.972977 where: bonds (distance) C4'-P energy: -14.975 bonds (distance) P-C4' energy: -10.046 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -6.983 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: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -79.633420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.633420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.633420 (E_RNA) where: Base-Base interactions energy: -31.288 where: short stacking energy: -31.288 Base-Backbone interact. energy: -0.025 local terms energy: -48.319692 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -10.570 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -5.840 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: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -77.626088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.626088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.626088 (E_RNA) where: Base-Base interactions energy: -33.897 where: short stacking energy: -30.780 Base-Backbone interact. energy: -0.003 local terms energy: -43.726429 where: bonds (distance) C4'-P energy: -8.985 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -11.017 flat angles P-C4'-P energy: -6.951 tors. eta vs tors. theta energy: -7.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -214.530354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.530354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.530354 (E_RNA) where: Base-Base interactions energy: -142.135 where: short stacking energy: -61.717 Base-Backbone interact. energy: -0.014 local terms energy: -72.381504 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -14.488 flat angles P-C4'-P energy: -11.655 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: 2, replica: 5 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -217.058286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.058286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.058286 (E_RNA) where: Base-Base interactions energy: -145.064 where: short stacking energy: -65.566 Base-Backbone interact. energy: -0.016 local terms energy: -71.978443 where: bonds (distance) C4'-P energy: -13.319 bonds (distance) P-C4' energy: -14.844 flat angles C4'-P-C4' energy: -15.666 flat angles P-C4'-P energy: -9.119 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: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -210.932327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.932327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.932327 (E_RNA) where: Base-Base interactions energy: -145.264 where: short stacking energy: -64.106 Base-Backbone interact. energy: -0.000 local terms energy: -65.667755 where: bonds (distance) C4'-P energy: -9.994 bonds (distance) P-C4' energy: -14.803 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -17.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -216.101050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.101050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.101050 (E_RNA) where: Base-Base interactions energy: -145.451 where: short stacking energy: -61.888 Base-Backbone interact. energy: -0.058 local terms energy: -70.592143 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -9.003 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: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -207.588756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.588756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.588756 (E_RNA) where: Base-Base interactions energy: -140.130 where: short stacking energy: -61.200 Base-Backbone interact. energy: -0.634 local terms energy: -66.824516 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -5.991 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: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -199.954855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.954855 (E_RNA) where: Base-Base interactions energy: -139.889 where: short stacking energy: -58.320 Base-Backbone interact. energy: -0.575 local terms energy: -59.490690 where: bonds (distance) C4'-P energy: -7.259 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -17.355 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: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -207.514462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.514462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.514462 (E_RNA) where: Base-Base interactions energy: -143.787 where: short stacking energy: -66.773 Base-Backbone interact. energy: -0.095 local terms energy: -63.632985 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -15.182 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -179.763948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.763948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.763948 (E_RNA) where: Base-Base interactions energy: -125.619 where: short stacking energy: -48.696 Base-Backbone interact. energy: 0.143 local terms energy: -54.288677 where: bonds (distance) C4'-P energy: -9.918 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -8.052 tors. eta vs tors. theta energy: -11.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -83.632495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.632495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.632495 (E_RNA) where: Base-Base interactions energy: -38.552 where: short stacking energy: -29.273 Base-Backbone interact. energy: -0.003 local terms energy: -45.077909 where: bonds (distance) C4'-P energy: -9.340 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -69.784726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.784726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.784726 (E_RNA) where: Base-Base interactions energy: -34.792 where: short stacking energy: -33.486 Base-Backbone interact. energy: -0.031 local terms energy: -34.961800 where: bonds (distance) C4'-P energy: -7.841 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: 0.953 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: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -223.187282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.187282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.187282 (E_RNA) where: Base-Base interactions energy: -152.397 where: short stacking energy: -69.170 Base-Backbone interact. energy: -0.333 local terms energy: -70.457036 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -9.495 tors. eta vs tors. theta energy: -18.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -218.206971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.206971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.206971 (E_RNA) where: Base-Base interactions energy: -146.185 where: short stacking energy: -63.258 Base-Backbone interact. energy: -0.664 local terms energy: -71.357939 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -12.406 flat angles C4'-P-C4' energy: -16.833 flat angles P-C4'-P energy: -12.190 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: 3, replica: 5 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -215.415547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.415547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.415547 (E_RNA) where: Base-Base interactions energy: -148.837 where: short stacking energy: -59.461 Base-Backbone interact. energy: -0.305 local terms energy: -66.273651 where: bonds (distance) C4'-P energy: -9.347 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -11.312 tors. eta vs tors. theta energy: -16.548 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: 4, replica: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -213.738298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.738298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.738298 (E_RNA) where: Base-Base interactions energy: -146.727 where: short stacking energy: -67.493 Base-Backbone interact. energy: -0.026 local terms energy: -66.986075 where: bonds (distance) C4'-P energy: -10.171 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -17.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -213.907187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.907187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.907187 (E_RNA) where: Base-Base interactions energy: -143.859 where: short stacking energy: -60.316 Base-Backbone interact. energy: -0.001 local terms energy: -70.046904 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -10.482 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -18.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -195.319130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.319130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.319130 (E_RNA) where: Base-Base interactions energy: -136.802 where: short stacking energy: -51.437 Base-Backbone interact. energy: -0.116 local terms energy: -58.401577 where: bonds (distance) C4'-P energy: -13.149 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -9.724 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: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -201.307852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.307852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.307852 (E_RNA) where: Base-Base interactions energy: -141.985 where: short stacking energy: -59.575 Base-Backbone interact. energy: -0.001 local terms energy: -59.322464 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -8.095 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: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -157.079628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.079628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.079628 (E_RNA) where: Base-Base interactions energy: -99.365 where: short stacking energy: -44.248 Base-Backbone interact. energy: -0.069 local terms energy: -57.646207 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.433 flat angles P-C4'-P energy: -10.831 tors. eta vs tors. theta energy: -10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -75.884226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.884226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.884226 (E_RNA) where: Base-Base interactions energy: -32.887 where: short stacking energy: -32.887 Base-Backbone interact. energy: 0.892 local terms energy: -43.888875 where: bonds (distance) C4'-P energy: -8.190 bonds (distance) P-C4' energy: -9.248 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -72.415509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.415509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.415509 (E_RNA) where: Base-Base interactions energy: -23.412 where: short stacking energy: -22.323 Base-Backbone interact. energy: -0.148 local terms energy: -48.855343 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -4.424 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: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -221.245291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.245291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.245291 (E_RNA) where: Base-Base interactions energy: -150.045 where: short stacking energy: -70.127 Base-Backbone interact. energy: -0.020 local terms energy: -71.179603 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -11.898 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: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -218.554868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.554868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.554868 (E_RNA) where: Base-Base interactions energy: -150.609 where: short stacking energy: -70.490 Base-Backbone interact. energy: -0.123 local terms energy: -67.823244 where: bonds (distance) C4'-P energy: -14.942 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -18.537 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: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -215.571396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.571396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.571396 (E_RNA) where: Base-Base interactions energy: -145.907 where: short stacking energy: -58.965 Base-Backbone interact. energy: -0.691 local terms energy: -68.973935 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -14.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -201.561437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.561437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.561437 (E_RNA) where: Base-Base interactions energy: -136.408 where: short stacking energy: -55.895 Base-Backbone interact. energy: -0.178 local terms energy: -64.975844 where: bonds (distance) C4'-P energy: -15.464 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -13.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -206.546303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.546303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.546303 (E_RNA) where: Base-Base interactions energy: -138.524 where: short stacking energy: -58.225 Base-Backbone interact. energy: -0.977 local terms energy: -67.045827 where: bonds (distance) C4'-P energy: -12.730 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -15.625 flat angles P-C4'-P energy: -8.621 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: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -209.426042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.426042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.426042 (E_RNA) where: Base-Base interactions energy: -147.932 where: short stacking energy: -62.729 Base-Backbone interact. energy: -0.298 local terms energy: -61.196117 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -6.633 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -7.741 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: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -198.190543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.190543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.190543 (E_RNA) where: Base-Base interactions energy: -132.017 where: short stacking energy: -52.929 Base-Backbone interact. energy: -0.293 local terms energy: -65.880254 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -160.717203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.717203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.717203 (E_RNA) where: Base-Base interactions energy: -99.888 where: short stacking energy: -48.119 Base-Backbone interact. energy: 0.785 local terms energy: -61.614385 where: bonds (distance) C4'-P energy: -8.782 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -16.014 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: 9, replica: 1 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -78.543893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.543893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.543893 (E_RNA) where: Base-Base interactions energy: -32.497 where: short stacking energy: -30.116 Base-Backbone interact. energy: 0.203 local terms energy: -46.249658 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -11.960 flat angles C4'-P-C4' energy: -10.382 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -70.611336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.611336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.611336 (E_RNA) where: Base-Base interactions energy: -31.061 where: short stacking energy: -27.259 Base-Backbone interact. energy: 0.716 local terms energy: -40.265863 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -10.171 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: 1.596 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: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -222.188255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.188255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.188255 (E_RNA) where: Base-Base interactions energy: -154.424 where: short stacking energy: -70.022 Base-Backbone interact. energy: -0.029 local terms energy: -67.735410 where: bonds (distance) C4'-P energy: -11.496 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -14.022 flat angles P-C4'-P energy: -10.242 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: 2, replica: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -221.422528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.422528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.422528 (E_RNA) where: Base-Base interactions energy: -149.808 where: short stacking energy: -66.055 Base-Backbone interact. energy: -0.001 local terms energy: -71.613413 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -9.608 tors. eta vs tors. theta energy: -21.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -209.215017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.215017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.215017 (E_RNA) where: Base-Base interactions energy: -146.679 where: short stacking energy: -62.225 Base-Backbone interact. energy: -0.009 local terms energy: -62.527009 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -13.590 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -9.641 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: 4, replica: 9 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -211.654360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.654360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.654360 (E_RNA) where: Base-Base interactions energy: -148.123 where: short stacking energy: -63.251 Base-Backbone interact. energy: -0.100 local terms energy: -63.431396 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -16.535 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: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -204.959187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.959187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.959187 (E_RNA) where: Base-Base interactions energy: -142.969 where: short stacking energy: -59.844 Base-Backbone interact. energy: -0.587 local terms energy: -61.403502 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -10.876 flat angles P-C4'-P energy: -6.417 tors. eta vs tors. theta energy: -13.781 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: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -196.319852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.319852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.319852 (E_RNA) where: Base-Base interactions energy: -139.262 where: short stacking energy: -57.977 Base-Backbone interact. energy: -0.198 local terms energy: -56.860308 where: bonds (distance) C4'-P energy: -9.584 bonds (distance) P-C4' energy: -10.996 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -8.967 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: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -167.235101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.235101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.235101 (E_RNA) where: Base-Base interactions energy: -112.842 where: short stacking energy: -59.225 Base-Backbone interact. energy: -0.211 local terms energy: -54.182126 where: bonds (distance) C4'-P energy: -10.015 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -13.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -168.000958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.000958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.000958 (E_RNA) where: Base-Base interactions energy: -113.384 where: short stacking energy: -49.520 Base-Backbone interact. energy: -0.000 local terms energy: -54.616902 where: bonds (distance) C4'-P energy: -10.246 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -12.695 flat angles P-C4'-P energy: -10.379 tors. eta vs tors. theta energy: -9.294 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: 459 Temperature: 1.300000 Total energy: -82.434530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.434530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.434530 (E_RNA) where: Base-Base interactions energy: -33.815 where: short stacking energy: -33.815 Base-Backbone interact. energy: 0.263 local terms energy: -48.882560 where: bonds (distance) C4'-P energy: -11.410 bonds (distance) P-C4' energy: -9.652 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -6.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -70.049796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.049796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.049796 (E_RNA) where: Base-Base interactions energy: -26.420 where: short stacking energy: -19.023 Base-Backbone interact. energy: 1.366 local terms energy: -44.995580 where: bonds (distance) C4'-P energy: -10.114 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -10.496 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -1.160 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: 460 Temperature: 0.900000 Total energy: -225.952211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.952211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.952211 (E_RNA) where: Base-Base interactions energy: -151.998 where: short stacking energy: -67.370 Base-Backbone interact. energy: -0.006 local terms energy: -73.948745 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -14.150 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -19.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -211.600529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.600529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.600529 (E_RNA) where: Base-Base interactions energy: -145.039 where: short stacking energy: -63.254 Base-Backbone interact. energy: -0.576 local terms energy: -65.985309 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -12.816 flat angles C4'-P-C4' energy: -15.383 flat angles P-C4'-P energy: -8.982 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: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -212.445216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.445216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.445216 (E_RNA) where: Base-Base interactions energy: -148.690 where: short stacking energy: -69.337 Base-Backbone interact. energy: -0.045 local terms energy: -63.710319 where: bonds (distance) C4'-P energy: -13.966 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -9.653 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: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -215.058759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.058759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.058759 (E_RNA) where: Base-Base interactions energy: -144.657 where: short stacking energy: -65.661 Base-Backbone interact. energy: -0.117 local terms energy: -70.285018 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -12.047 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -11.959 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: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -191.742382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.742382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.742382 (E_RNA) where: Base-Base interactions energy: -133.866 where: short stacking energy: -55.646 Base-Backbone interact. energy: -0.126 local terms energy: -57.751270 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -12.043 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -11.455 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: 6, replica: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -210.479294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.479294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.479294 (E_RNA) where: Base-Base interactions energy: -142.077 where: short stacking energy: -62.105 Base-Backbone interact. energy: -0.101 local terms energy: -68.301130 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -10.055 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: 7, replica: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -185.481314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.481314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.481314 (E_RNA) where: Base-Base interactions energy: -128.303 where: short stacking energy: -53.488 Base-Backbone interact. energy: 0.170 local terms energy: -57.348852 where: bonds (distance) C4'-P energy: -7.393 bonds (distance) P-C4' energy: -11.640 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -15.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -170.316272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.316272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.316272 (E_RNA) where: Base-Base interactions energy: -115.203 where: short stacking energy: -52.528 Base-Backbone interact. energy: 0.061 local terms energy: -55.173967 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -12.450 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: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -72.175362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.175362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.175362 (E_RNA) where: Base-Base interactions energy: -34.128 where: short stacking energy: -30.930 Base-Backbone interact. energy: -0.349 local terms energy: -37.698817 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -1.540 tors. eta vs tors. theta energy: -5.676 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: 460 Temperature: 1.350000 Total energy: -103.253673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.253673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.253673 (E_RNA) where: Base-Base interactions energy: -57.564 where: short stacking energy: -33.147 Base-Backbone interact. energy: 2.042 local terms energy: -47.731706 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -12.030 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -5.329 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: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -230.390300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.390300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.390300 (E_RNA) where: Base-Base interactions energy: -155.637 where: short stacking energy: -66.155 Base-Backbone interact. energy: -0.001 local terms energy: -74.752345 where: bonds (distance) C4'-P energy: -13.889 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -10.808 tors. eta vs tors. theta energy: -20.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -218.103603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.103603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.103603 (E_RNA) where: Base-Base interactions energy: -148.851 where: short stacking energy: -66.030 Base-Backbone interact. energy: -0.412 local terms energy: -68.839856 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -7.699 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: 3, replica: 9 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -219.411008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.411008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.411008 (E_RNA) where: Base-Base interactions energy: -145.109 where: short stacking energy: -61.533 Base-Backbone interact. energy: -0.724 local terms energy: -73.578267 where: bonds (distance) C4'-P energy: -15.658 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -7.969 tors. eta vs tors. theta energy: -19.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -211.647493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.647493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.647493 (E_RNA) where: Base-Base interactions energy: -144.204 where: short stacking energy: -64.481 Base-Backbone interact. energy: -0.833 local terms energy: -66.610872 where: bonds (distance) C4'-P energy: -10.558 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -20.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -209.904901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.904901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.904901 (E_RNA) where: Base-Base interactions energy: -147.223 where: short stacking energy: -64.600 Base-Backbone interact. energy: 0.519 local terms energy: -63.200457 where: bonds (distance) C4'-P energy: -10.255 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -13.222 flat angles P-C4'-P energy: -5.626 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: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -199.704248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.704248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.704248 (E_RNA) where: Base-Base interactions energy: -137.154 where: short stacking energy: -55.883 Base-Backbone interact. energy: -0.180 local terms energy: -62.370116 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -10.276 tors. eta vs tors. theta energy: -15.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -204.293967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.293967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.293967 (E_RNA) where: Base-Base interactions energy: -146.930 where: short stacking energy: -64.874 Base-Backbone interact. energy: -0.001 local terms energy: -57.363767 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -10.365 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -14.816 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: 461 Temperature: 1.250000 Total energy: -185.657975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.657975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.657975 (E_RNA) where: Base-Base interactions energy: -125.856 where: short stacking energy: -43.420 Base-Backbone interact. energy: -0.443 local terms energy: -59.358911 where: bonds (distance) C4'-P energy: -10.529 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -11.053 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: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -71.665579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.665579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.665579 (E_RNA) where: Base-Base interactions energy: -27.349 where: short stacking energy: -22.704 Base-Backbone interact. energy: 0.170 local terms energy: -44.486764 where: bonds (distance) C4'-P energy: -9.630 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -80.106037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.106037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.106037 (E_RNA) where: Base-Base interactions energy: -33.748 where: short stacking energy: -22.521 Base-Backbone interact. energy: -0.095 local terms energy: -46.262995 where: bonds (distance) C4'-P energy: -8.773 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -222.419052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.419052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.419052 (E_RNA) where: Base-Base interactions energy: -152.929 where: short stacking energy: -64.926 Base-Backbone interact. energy: -0.007 local terms energy: -69.483022 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -18.240 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: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -219.464997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.464997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.464997 (E_RNA) where: Base-Base interactions energy: -148.888 where: short stacking energy: -63.358 Base-Backbone interact. energy: -0.156 local terms energy: -70.421102 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -12.918 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -12.783 tors. eta vs tors. theta energy: -19.563 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: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -213.232316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.232316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.232316 (E_RNA) where: Base-Base interactions energy: -144.321 where: short stacking energy: -62.608 Base-Backbone interact. energy: -0.034 local terms energy: -68.877853 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -18.072 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: 9 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -212.619691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.619691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.619691 (E_RNA) where: Base-Base interactions energy: -143.162 where: short stacking energy: -61.044 Base-Backbone interact. energy: 0.340 local terms energy: -69.797752 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -11.921 flat angles C4'-P-C4' energy: -15.556 flat angles P-C4'-P energy: -10.791 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: 5, replica: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -207.406506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.406506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.406506 (E_RNA) where: Base-Base interactions energy: -141.513 where: short stacking energy: -59.498 Base-Backbone interact. energy: -0.187 local terms energy: -65.706356 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -9.802 tors. eta vs tors. theta energy: -16.055 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: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -204.865404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.865404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.865404 (E_RNA) where: Base-Base interactions energy: -141.572 where: short stacking energy: -64.436 Base-Backbone interact. energy: -0.058 local terms energy: -63.235511 where: bonds (distance) C4'-P energy: -8.703 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -16.406 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -19.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -201.419482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.419482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.419482 (E_RNA) where: Base-Base interactions energy: -143.526 where: short stacking energy: -60.432 Base-Backbone interact. energy: -0.446 local terms energy: -57.447038 where: bonds (distance) C4'-P energy: -9.092 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -10.513 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: 8, replica: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -189.660125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.660125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.660125 (E_RNA) where: Base-Base interactions energy: -131.722 where: short stacking energy: -59.711 Base-Backbone interact. energy: -0.016 local terms energy: -57.921996 where: bonds (distance) C4'-P energy: -7.502 bonds (distance) P-C4' energy: -15.216 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -16.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -80.585444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.585444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.585444 (E_RNA) where: Base-Base interactions energy: -29.615 where: short stacking energy: -27.839 Base-Backbone interact. energy: -0.003 local terms energy: -50.967446 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -12.261 flat angles C4'-P-C4' energy: -13.346 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -76.483744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.483744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.483744 (E_RNA) where: Base-Base interactions energy: -25.132 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.576 local terms energy: -50.776413 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -9.583 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: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -225.550903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.550903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.550903 (E_RNA) where: Base-Base interactions energy: -156.547 where: short stacking energy: -69.817 Base-Backbone interact. energy: -0.341 local terms energy: -68.663117 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -18.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -214.483421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.483421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.483421 (E_RNA) where: Base-Base interactions energy: -147.110 where: short stacking energy: -65.286 Base-Backbone interact. energy: -0.016 local terms energy: -67.357233 where: bonds (distance) C4'-P energy: -13.943 bonds (distance) P-C4' energy: -15.479 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -2.968 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: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -218.888491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.888491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.888491 (E_RNA) where: Base-Base interactions energy: -146.824 where: short stacking energy: -65.222 Base-Backbone interact. energy: -0.004 local terms energy: -72.060232 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -11.489 tors. eta vs tors. theta energy: -19.700 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: 463 Temperature: 1.050000 Total energy: -212.640025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.640025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.640025 (E_RNA) where: Base-Base interactions energy: -143.103 where: short stacking energy: -60.352 Base-Backbone interact. energy: -0.004 local terms energy: -69.532651 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -8.086 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: 5, replica: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -206.279079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.279079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.279079 (E_RNA) where: Base-Base interactions energy: -137.320 where: short stacking energy: -58.782 Base-Backbone interact. energy: -0.326 local terms energy: -68.632971 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -17.593 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: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -197.566888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.566888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.566888 (E_RNA) where: Base-Base interactions energy: -138.168 where: short stacking energy: -52.552 Base-Backbone interact. energy: -0.221 local terms energy: -59.177669 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -7.764 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: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -203.888209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.888209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.888209 (E_RNA) where: Base-Base interactions energy: -139.134 where: short stacking energy: -61.590 Base-Backbone interact. energy: -0.625 local terms energy: -64.129162 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -12.117 flat angles C4'-P-C4' energy: -15.764 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -15.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -198.582364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.582364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.582364 (E_RNA) where: Base-Base interactions energy: -130.774 where: short stacking energy: -55.902 Base-Backbone interact. energy: -0.048 local terms energy: -67.760564 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -16.235 flat angles P-C4'-P energy: -9.694 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: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -73.555739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.555739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.555739 (E_RNA) where: Base-Base interactions energy: -34.284 where: short stacking energy: -30.620 Base-Backbone interact. energy: -0.102 local terms energy: -39.170073 where: bonds (distance) C4'-P energy: -7.689 bonds (distance) P-C4' energy: -11.469 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -7.653 tors. eta vs tors. theta energy: -5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -79.913177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.913177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.913177 (E_RNA) where: Base-Base interactions energy: -25.651 where: short stacking energy: -24.324 Base-Backbone interact. energy: -0.093 local terms energy: -54.170015 where: bonds (distance) C4'-P energy: -13.754 bonds (distance) P-C4' energy: -13.548 flat angles C4'-P-C4' energy: -15.159 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -8.789 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: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -225.186480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.186480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.186480 (E_RNA) where: Base-Base interactions energy: -150.860 where: short stacking energy: -64.878 Base-Backbone interact. energy: -0.152 local terms energy: -74.174462 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -10.727 tors. eta vs tors. theta energy: -19.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -218.795948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.795948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.795948 (E_RNA) where: Base-Base interactions energy: -146.651 where: short stacking energy: -65.401 Base-Backbone interact. energy: -0.009 local terms energy: -72.135513 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -15.201 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -21.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -207.940961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.940961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.940961 (E_RNA) where: Base-Base interactions energy: -137.003 where: short stacking energy: -54.476 Base-Backbone interact. energy: -0.001 local terms energy: -70.937470 where: bonds (distance) C4'-P energy: -14.801 bonds (distance) P-C4' energy: -13.206 flat angles C4'-P-C4' energy: -15.828 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -17.603 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: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -219.446671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.446671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.446671 (E_RNA) where: Base-Base interactions energy: -148.557 where: short stacking energy: -67.884 Base-Backbone interact. energy: -0.097 local terms energy: -70.793041 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -16.266 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -19.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -202.633889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.633889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.633889 (E_RNA) where: Base-Base interactions energy: -134.693 where: short stacking energy: -61.275 Base-Backbone interact. energy: -0.005 local terms energy: -67.935152 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -11.726 flat angles C4'-P-C4' energy: -16.417 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -17.236 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: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -200.507037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.507037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.507037 (E_RNA) where: Base-Base interactions energy: -134.766 where: short stacking energy: -57.026 Base-Backbone interact. energy: -0.125 local terms energy: -65.616105 where: bonds (distance) C4'-P energy: -14.034 bonds (distance) P-C4' energy: -11.442 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -15.263 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: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -196.582084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.582084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.582084 (E_RNA) where: Base-Base interactions energy: -135.564 where: short stacking energy: -54.289 Base-Backbone interact. energy: -0.209 local terms energy: -60.808860 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -10.163 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -19.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -190.248951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.248951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.248951 (E_RNA) where: Base-Base interactions energy: -129.682 where: short stacking energy: -52.618 Base-Backbone interact. energy: -0.020 local terms energy: -60.547422 where: bonds (distance) C4'-P energy: -8.107 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -10.809 tors. eta vs tors. theta energy: -15.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -88.963469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.963469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.963469 (E_RNA) where: Base-Base interactions energy: -41.258 where: short stacking energy: -25.156 Base-Backbone interact. energy: -0.145 local terms energy: -47.560302 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -3.742 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: 10, replica: 1 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -75.286153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.286153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.286153 (E_RNA) where: Base-Base interactions energy: -26.511 where: short stacking energy: -21.430 Base-Backbone interact. energy: -0.288 local terms energy: -48.486879 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -0.494 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: 465 Temperature: 0.900000 Total energy: -221.190215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.190215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.190215 (E_RNA) where: Base-Base interactions energy: -146.837 where: short stacking energy: -62.339 Base-Backbone interact. energy: 0.112 local terms energy: -74.464690 where: bonds (distance) C4'-P energy: -15.129 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -11.978 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: 2, replica: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -223.962039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.962039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.962039 (E_RNA) where: Base-Base interactions energy: -157.007 where: short stacking energy: -69.564 Base-Backbone interact. energy: -1.061 local terms energy: -65.894456 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -17.608 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: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -215.848096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.848096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.848096 (E_RNA) where: Base-Base interactions energy: -148.837 where: short stacking energy: -65.900 Base-Backbone interact. energy: -0.124 local terms energy: -66.887854 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -7.923 tors. eta vs tors. theta energy: -18.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -204.290643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.290643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.290643 (E_RNA) where: Base-Base interactions energy: -143.101 where: short stacking energy: -59.854 Base-Backbone interact. energy: -0.055 local terms energy: -61.135196 where: bonds (distance) C4'-P energy: -12.404 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -14.453 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: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -206.426597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.426597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.426597 (E_RNA) where: Base-Base interactions energy: -145.573 where: short stacking energy: -59.761 Base-Backbone interact. energy: -0.427 local terms energy: -60.426122 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -12.017 tors. eta vs tors. theta energy: -14.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -199.887924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.887924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.887924 (E_RNA) where: Base-Base interactions energy: -134.874 where: short stacking energy: -59.865 Base-Backbone interact. energy: -0.008 local terms energy: -65.006006 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -14.510 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -14.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -200.824585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.824585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.824585 (E_RNA) where: Base-Base interactions energy: -134.682 where: short stacking energy: -59.830 Base-Backbone interact. energy: -0.000 local terms energy: -66.142781 where: bonds (distance) C4'-P energy: -16.477 bonds (distance) P-C4' energy: -11.359 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -10.220 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: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -171.736655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.736655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.736655 (E_RNA) where: Base-Base interactions energy: -124.769 where: short stacking energy: -45.451 Base-Backbone interact. energy: 1.117 local terms energy: -48.084558 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -9.537 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -9.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -79.366751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.366751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.366751 (E_RNA) where: Base-Base interactions energy: -33.754 where: short stacking energy: -31.521 Base-Backbone interact. energy: -0.297 local terms energy: -45.316389 where: bonds (distance) C4'-P energy: -11.108 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -4.386 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: 1 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -79.369750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.369750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.369750 (E_RNA) where: Base-Base interactions energy: -33.412 where: short stacking energy: -24.974 Base-Backbone interact. energy: -0.340 local terms energy: -45.617639 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -10.529 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -2.174 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: 1, replica: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -216.021025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.021025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.021025 (E_RNA) where: Base-Base interactions energy: -147.037 where: short stacking energy: -63.155 Base-Backbone interact. energy: -0.540 local terms energy: -68.444013 where: bonds (distance) C4'-P energy: -14.031 bonds (distance) P-C4' energy: -11.393 flat angles C4'-P-C4' energy: -16.744 flat angles P-C4'-P energy: -10.124 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: 2, replica: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -218.239074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.239074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.239074 (E_RNA) where: Base-Base interactions energy: -149.435 where: short stacking energy: -66.621 Base-Backbone interact. energy: -0.005 local terms energy: -68.799535 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -11.832 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: 3, replica: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -219.874984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.874984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.874984 (E_RNA) where: Base-Base interactions energy: -146.082 where: short stacking energy: -63.733 Base-Backbone interact. energy: -0.865 local terms energy: -72.928102 where: bonds (distance) C4'-P energy: -13.899 bonds (distance) P-C4' energy: -17.585 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -10.982 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: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -210.826532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.826532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.826532 (E_RNA) where: Base-Base interactions energy: -150.077 where: short stacking energy: -66.078 Base-Backbone interact. energy: -0.001 local terms energy: -60.748529 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -11.574 flat angles C4'-P-C4' energy: -10.585 flat angles P-C4'-P energy: -5.334 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: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -211.570174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.570174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.570174 (E_RNA) where: Base-Base interactions energy: -139.857 where: short stacking energy: -60.521 Base-Backbone interact. energy: -0.847 local terms energy: -70.866546 where: bonds (distance) C4'-P energy: -16.552 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -17.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -202.654658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.654658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.654658 (E_RNA) where: Base-Base interactions energy: -142.708 where: short stacking energy: -60.945 Base-Backbone interact. energy: -0.096 local terms energy: -59.850751 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -10.704 flat angles C4'-P-C4' energy: -16.162 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -15.237 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: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -196.363288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.363288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.363288 (E_RNA) where: Base-Base interactions energy: -128.600 where: short stacking energy: -55.661 Base-Backbone interact. energy: -0.027 local terms energy: -67.736114 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -17.623 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -16.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -197.563564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.563564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.563564 (E_RNA) where: Base-Base interactions energy: -138.245 where: short stacking energy: -59.107 Base-Backbone interact. energy: -0.414 local terms energy: -58.904531 where: bonds (distance) C4'-P energy: -10.801 bonds (distance) P-C4' energy: -8.990 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -15.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -80.679778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.679778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.679778 (E_RNA) where: Base-Base interactions energy: -34.408 where: short stacking energy: -34.408 Base-Backbone interact. energy: -0.133 local terms energy: -46.138278 where: bonds (distance) C4'-P energy: -9.510 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -4.719 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: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -68.968786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.968786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.968786 (E_RNA) where: Base-Base interactions energy: -25.915 where: short stacking energy: -23.856 Base-Backbone interact. energy: -0.179 local terms energy: -42.875035 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -14.862 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: 0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -220.021958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.021958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.021958 (E_RNA) where: Base-Base interactions energy: -145.768 where: short stacking energy: -61.968 Base-Backbone interact. energy: -0.545 local terms energy: -73.708502 where: bonds (distance) C4'-P energy: -15.608 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -13.654 tors. eta vs tors. theta energy: -17.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -219.391395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.391395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.391395 (E_RNA) where: Base-Base interactions energy: -149.719 where: short stacking energy: -64.633 Base-Backbone interact. energy: -0.673 local terms energy: -68.998743 where: bonds (distance) C4'-P energy: -15.952 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -11.326 tors. eta vs tors. theta energy: -16.624 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: 3, replica: 5 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -215.976904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.976904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.976904 (E_RNA) where: Base-Base interactions energy: -148.957 where: short stacking energy: -66.857 Base-Backbone interact. energy: -0.610 local terms energy: -66.409320 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -10.854 flat angles P-C4'-P energy: -9.284 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: 4, replica: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -208.255016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.255016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.255016 (E_RNA) where: Base-Base interactions energy: -139.863 where: short stacking energy: -57.506 Base-Backbone interact. energy: -1.521 local terms energy: -66.871211 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -13.047 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -18.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -201.937644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.937644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.937644 (E_RNA) where: Base-Base interactions energy: -138.551 where: short stacking energy: -57.625 Base-Backbone interact. energy: -0.002 local terms energy: -63.384758 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -17.383 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: 6, replica: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -205.081365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.081365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.081365 (E_RNA) where: Base-Base interactions energy: -146.348 where: short stacking energy: -60.140 Base-Backbone interact. energy: -1.596 local terms energy: -57.138290 where: bonds (distance) C4'-P energy: -9.154 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -17.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -193.852609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.852609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.852609 (E_RNA) where: Base-Base interactions energy: -135.847 where: short stacking energy: -57.653 Base-Backbone interact. energy: -0.101 local terms energy: -57.905141 where: bonds (distance) C4'-P energy: -10.502 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -19.762 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: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -188.253853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.253853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.253853 (E_RNA) where: Base-Base interactions energy: -129.779 where: short stacking energy: -45.602 Base-Backbone interact. energy: -0.314 local terms energy: -58.159957 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -8.856 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -11.798 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: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -87.831792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.831792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.831792 (E_RNA) where: Base-Base interactions energy: -41.216 where: short stacking energy: -31.443 Base-Backbone interact. energy: -0.507 local terms energy: -46.108840 where: bonds (distance) C4'-P energy: -10.122 bonds (distance) P-C4' energy: -14.647 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -81.028775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.028775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.028775 (E_RNA) where: Base-Base interactions energy: -39.105 where: short stacking energy: -39.105 Base-Backbone interact. energy: -0.041 local terms energy: -41.883164 where: bonds (distance) C4'-P energy: -3.623 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -10.507 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -7.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -219.568722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.568722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.568722 (E_RNA) where: Base-Base interactions energy: -146.333 where: short stacking energy: -65.173 Base-Backbone interact. energy: -0.002 local terms energy: -73.233351 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -15.299 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -20.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -219.216224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.216224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.216224 (E_RNA) where: Base-Base interactions energy: -148.422 where: short stacking energy: -63.786 Base-Backbone interact. energy: -0.062 local terms energy: -70.732300 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -13.301 flat angles P-C4'-P energy: -13.867 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: 3, replica: 5 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -209.178112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.178112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.178112 (E_RNA) where: Base-Base interactions energy: -138.508 where: short stacking energy: -61.598 Base-Backbone interact. energy: -0.974 local terms energy: -69.696014 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -15.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -211.496238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.496238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.496238 (E_RNA) where: Base-Base interactions energy: -144.874 where: short stacking energy: -59.578 Base-Backbone interact. energy: -0.104 local terms energy: -66.518487 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -8.908 tors. eta vs tors. theta energy: -16.764 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: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -204.773912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.773912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.773912 (E_RNA) where: Base-Base interactions energy: -140.475 where: short stacking energy: -53.234 Base-Backbone interact. energy: -0.493 local terms energy: -63.805217 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -15.233 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -12.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -203.008338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.008338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.008338 (E_RNA) where: Base-Base interactions energy: -141.045 where: short stacking energy: -56.639 Base-Backbone interact. energy: -0.117 local terms energy: -61.846005 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -11.854 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -6.691 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: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -206.917220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.917220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.917220 (E_RNA) where: Base-Base interactions energy: -144.167 where: short stacking energy: -58.594 Base-Backbone interact. energy: -0.336 local terms energy: -62.414538 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -10.906 flat angles P-C4'-P energy: -9.101 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: 8, replica: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -192.884713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.884713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.884713 (E_RNA) where: Base-Base interactions energy: -131.552 where: short stacking energy: -54.975 Base-Backbone interact. energy: -1.458 local terms energy: -59.874621 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -15.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -77.535152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.535152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.535152 (E_RNA) where: Base-Base interactions energy: -23.013 where: short stacking energy: -13.623 Base-Backbone interact. energy: 0.148 local terms energy: -54.670161 where: bonds (distance) C4'-P energy: -15.144 bonds (distance) P-C4' energy: -14.890 flat angles C4'-P-C4' energy: -13.292 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -1.906 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: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -67.981129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.981129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.981129 (E_RNA) where: Base-Base interactions energy: -30.515 where: short stacking energy: -30.515 Base-Backbone interact. energy: 1.304 local terms energy: -38.770121 where: bonds (distance) C4'-P energy: -9.497 bonds (distance) P-C4' energy: -10.700 flat angles C4'-P-C4' energy: -10.495 flat angles P-C4'-P energy: -0.731 tors. eta vs tors. theta energy: -7.348 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: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -228.555941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.555941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.555941 (E_RNA) where: Base-Base interactions energy: -154.936 where: short stacking energy: -70.248 Base-Backbone interact. energy: -0.270 local terms energy: -73.350351 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -15.178 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -20.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -220.595974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.595974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.595974 (E_RNA) where: Base-Base interactions energy: -146.265 where: short stacking energy: -67.652 Base-Backbone interact. energy: -0.021 local terms energy: -74.309937 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -15.023 flat angles P-C4'-P energy: -11.958 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: 469 Temperature: 1.000000 Total energy: -212.887663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.887663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.887663 (E_RNA) where: Base-Base interactions energy: -142.417 where: short stacking energy: -62.711 Base-Backbone interact. energy: 0.657 local terms energy: -71.127759 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -15.215 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -18.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -209.099056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.099056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.099056 (E_RNA) where: Base-Base interactions energy: -142.124 where: short stacking energy: -57.027 Base-Backbone interact. energy: -1.593 local terms energy: -65.382094 where: bonds (distance) C4'-P energy: -10.089 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -15.869 flat angles P-C4'-P energy: -13.650 tors. eta vs tors. theta energy: -10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -208.508936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.508936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.508936 (E_RNA) where: Base-Base interactions energy: -133.989 where: short stacking energy: -59.066 Base-Backbone interact. energy: 0.185 local terms energy: -74.705052 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -21.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -205.415896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.415896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.415896 (E_RNA) where: Base-Base interactions energy: -145.789 where: short stacking energy: -59.359 Base-Backbone interact. energy: -0.045 local terms energy: -59.581781 where: bonds (distance) C4'-P energy: -9.766 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -19.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -204.011484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.011484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.011484 (E_RNA) where: Base-Base interactions energy: -144.982 where: short stacking energy: -64.891 Base-Backbone interact. energy: -0.146 local terms energy: -58.883562 where: bonds (distance) C4'-P energy: -8.773 bonds (distance) P-C4' energy: -11.650 flat angles C4'-P-C4' energy: -11.159 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -19.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -162.897623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.897623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.897623 (E_RNA) where: Base-Base interactions energy: -102.297 where: short stacking energy: -43.981 Base-Backbone interact. energy: -0.286 local terms energy: -60.314464 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -7.739 tors. eta vs tors. theta energy: -10.015 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: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -80.354388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.354388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.354388 (E_RNA) where: Base-Base interactions energy: -31.107 where: short stacking energy: -31.107 Base-Backbone interact. energy: -0.152 local terms energy: -49.094779 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -11.935 flat angles C4'-P-C4' energy: -10.754 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -81.700050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.700050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.700050 (E_RNA) where: Base-Base interactions energy: -38.655 where: short stacking energy: -33.599 Base-Backbone interact. energy: -0.054 local terms energy: -42.990735 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -10.189 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -8.466 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: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -217.923930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.923930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.923930 (E_RNA) where: Base-Base interactions energy: -148.382 where: short stacking energy: -64.256 Base-Backbone interact. energy: -1.346 local terms energy: -68.195944 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -16.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -217.043473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.043473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.043473 (E_RNA) where: Base-Base interactions energy: -148.150 where: short stacking energy: -67.896 Base-Backbone interact. energy: -0.721 local terms energy: -68.172458 where: bonds (distance) C4'-P energy: -10.383 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -12.831 flat angles P-C4'-P energy: -11.969 tors. eta vs tors. theta energy: -19.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -215.084657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.084657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.084657 (E_RNA) where: Base-Base interactions energy: -147.182 where: short stacking energy: -64.347 Base-Backbone interact. energy: -0.316 local terms energy: -67.586045 where: bonds (distance) C4'-P energy: -13.890 bonds (distance) P-C4' energy: -13.446 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -16.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -210.938057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.938057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.938057 (E_RNA) where: Base-Base interactions energy: -147.942 where: short stacking energy: -65.114 Base-Backbone interact. energy: -0.275 local terms energy: -62.720547 where: bonds (distance) C4'-P energy: -8.868 bonds (distance) P-C4' energy: -10.798 flat angles C4'-P-C4' energy: -16.191 flat angles P-C4'-P energy: -8.908 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: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -211.798138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.798138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.798138 (E_RNA) where: Base-Base interactions energy: -143.689 where: short stacking energy: -66.837 Base-Backbone interact. energy: -0.012 local terms energy: -68.096749 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -11.888 flat angles C4'-P-C4' energy: -15.313 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -18.328 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: 470 Temperature: 1.150000 Total energy: -197.491478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.491478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.491478 (E_RNA) where: Base-Base interactions energy: -133.445 where: short stacking energy: -57.461 Base-Backbone interact. energy: -0.192 local terms energy: -63.854385 where: bonds (distance) C4'-P energy: -14.279 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -16.154 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -13.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -195.423536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.423536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.423536 (E_RNA) where: Base-Base interactions energy: -140.671 where: short stacking energy: -55.982 Base-Backbone interact. energy: -1.474 local terms energy: -53.278275 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -10.428 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -153.537188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.537188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.537188 (E_RNA) where: Base-Base interactions energy: -96.029 where: short stacking energy: -40.596 Base-Backbone interact. energy: 1.063 local terms energy: -58.570630 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -8.057 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: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -71.650169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.650169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.650169 (E_RNA) where: Base-Base interactions energy: -26.824 where: short stacking energy: -26.824 Base-Backbone interact. energy: -0.143 local terms energy: -44.683640 where: bonds (distance) C4'-P energy: -10.900 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -76.076645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.076645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.076645 (E_RNA) where: Base-Base interactions energy: -31.409 where: short stacking energy: -29.837 Base-Backbone interact. energy: -0.093 local terms energy: -44.574271 where: bonds (distance) C4'-P energy: -7.764 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -9.812 flat angles P-C4'-P energy: -12.307 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -220.335542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.335542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.335542 (E_RNA) where: Base-Base interactions energy: -146.327 where: short stacking energy: -65.187 Base-Backbone interact. energy: -0.675 local terms energy: -73.333469 where: bonds (distance) C4'-P energy: -14.917 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -13.051 tors. eta vs tors. theta energy: -17.330 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: 3 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -219.437184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.437184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.437184 (E_RNA) where: Base-Base interactions energy: -157.440 where: short stacking energy: -70.605 Base-Backbone interact. energy: -0.217 local terms energy: -61.780650 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -14.466 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -3.260 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: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -213.755681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.755681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.755681 (E_RNA) where: Base-Base interactions energy: -139.337 where: short stacking energy: -59.930 Base-Backbone interact. energy: -0.006 local terms energy: -74.412719 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -16.234 flat angles P-C4'-P energy: -8.830 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: 4 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -211.911213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.911213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.911213 (E_RNA) where: Base-Base interactions energy: -142.837 where: short stacking energy: -63.078 Base-Backbone interact. energy: -0.002 local terms energy: -69.071604 where: bonds (distance) C4'-P energy: -13.692 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -10.527 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: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -196.370834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.370834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.370834 (E_RNA) where: Base-Base interactions energy: -128.818 where: short stacking energy: -55.838 Base-Backbone interact. energy: -0.047 local terms energy: -67.506438 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -16.122 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -16.145 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: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -208.224310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.224310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.224310 (E_RNA) where: Base-Base interactions energy: -147.629 where: short stacking energy: -62.607 Base-Backbone interact. energy: -0.048 local terms energy: -60.547256 where: bonds (distance) C4'-P energy: -9.907 bonds (distance) P-C4' energy: -13.734 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -14.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -196.637106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.637106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.637106 (E_RNA) where: Base-Base interactions energy: -133.488 where: short stacking energy: -58.097 Base-Backbone interact. energy: -0.009 local terms energy: -63.139557 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -11.124 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -14.689 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: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -147.919916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.919916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.919916 (E_RNA) where: Base-Base interactions energy: -94.192 where: short stacking energy: -32.650 Base-Backbone interact. energy: -0.315 local terms energy: -53.413167 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -10.583 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -6.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -84.173581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.173581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.173581 (E_RNA) where: Base-Base interactions energy: -35.931 where: short stacking energy: -32.929 Base-Backbone interact. energy: 0.891 local terms energy: -49.133547 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -9.566 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -79.517278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.517278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.517278 (E_RNA) where: Base-Base interactions energy: -32.494 where: short stacking energy: -19.103 Base-Backbone interact. energy: -0.282 local terms energy: -46.741973 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -3.397 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: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -223.519222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.519222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.519222 (E_RNA) where: Base-Base interactions energy: -147.118 where: short stacking energy: -63.301 Base-Backbone interact. energy: -0.022 local terms energy: -76.379834 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -15.774 flat angles P-C4'-P energy: -10.153 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: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -218.955397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.955397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.955397 (E_RNA) where: Base-Base interactions energy: -147.682 where: short stacking energy: -67.367 Base-Backbone interact. energy: -0.046 local terms energy: -71.228029 where: bonds (distance) C4'-P energy: -15.525 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -10.246 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: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -221.304554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.304554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.304554 (E_RNA) where: Base-Base interactions energy: -148.839 where: short stacking energy: -66.548 Base-Backbone interact. energy: -1.316 local terms energy: -71.150243 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -20.602 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: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -207.544416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.544416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.544416 (E_RNA) where: Base-Base interactions energy: -135.357 where: short stacking energy: -56.973 Base-Backbone interact. energy: -0.520 local terms energy: -71.667127 where: bonds (distance) C4'-P energy: -15.418 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -17.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -200.544808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.544808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.544808 (E_RNA) where: Base-Base interactions energy: -134.678 where: short stacking energy: -53.682 Base-Backbone interact. energy: -0.017 local terms energy: -65.849768 where: bonds (distance) C4'-P energy: -9.712 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -10.003 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: 6, replica: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -199.008561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.008561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.008561 (E_RNA) where: Base-Base interactions energy: -140.900 where: short stacking energy: -54.523 Base-Backbone interact. energy: -0.139 local terms energy: -57.969434 where: bonds (distance) C4'-P energy: -13.847 bonds (distance) P-C4' energy: -10.196 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -14.283 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: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -193.930202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.930202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.930202 (E_RNA) where: Base-Base interactions energy: -129.273 where: short stacking energy: -55.138 Base-Backbone interact. energy: 0.018 local terms energy: -64.674373 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -12.786 flat angles P-C4'-P energy: -9.403 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: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -191.713613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.713613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.713613 (E_RNA) where: Base-Base interactions energy: -134.761 where: short stacking energy: -51.592 Base-Backbone interact. energy: -0.381 local terms energy: -56.571728 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -8.764 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -14.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -74.254713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.254713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.254713 (E_RNA) where: Base-Base interactions energy: -25.019 where: short stacking energy: -25.019 Base-Backbone interact. energy: 0.664 local terms energy: -49.899539 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -15.255 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -2.269 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: 472 Temperature: 1.350000 Total energy: -74.359146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.359146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.359146 (E_RNA) where: Base-Base interactions energy: -33.818 where: short stacking energy: -33.768 Base-Backbone interact. energy: 0.877 local terms energy: -41.418464 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -2.404 tors. eta vs tors. theta energy: -7.755 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: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -219.455623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.455623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.455623 (E_RNA) where: Base-Base interactions energy: -155.076 where: short stacking energy: -67.147 Base-Backbone interact. energy: -0.280 local terms energy: -64.099341 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -7.951 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -20.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -219.029953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.029953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.029953 (E_RNA) where: Base-Base interactions energy: -148.720 where: short stacking energy: -64.921 Base-Backbone interact. energy: -0.576 local terms energy: -69.734056 where: bonds (distance) C4'-P energy: -10.881 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -13.674 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: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -212.205926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.205926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.205926 (E_RNA) where: Base-Base interactions energy: -142.110 where: short stacking energy: -63.975 Base-Backbone interact. energy: -0.627 local terms energy: -69.468787 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -8.885 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: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -215.683948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.683948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.683948 (E_RNA) where: Base-Base interactions energy: -152.772 where: short stacking energy: -59.524 Base-Backbone interact. energy: -0.041 local terms energy: -62.870996 where: bonds (distance) C4'-P energy: -13.819 bonds (distance) P-C4' energy: -12.721 flat angles C4'-P-C4' energy: -14.692 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -14.142 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: 5, replica: 6 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -205.992590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.992590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.992590 (E_RNA) where: Base-Base interactions energy: -138.544 where: short stacking energy: -54.970 Base-Backbone interact. energy: -0.001 local terms energy: -67.447216 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -18.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -207.024888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.024888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.024888 (E_RNA) where: Base-Base interactions energy: -146.105 where: short stacking energy: -56.390 Base-Backbone interact. energy: -0.016 local terms energy: -60.903158 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -15.688 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -14.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -198.162756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.162756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.162756 (E_RNA) where: Base-Base interactions energy: -133.936 where: short stacking energy: -59.271 Base-Backbone interact. energy: -0.001 local terms energy: -64.225362 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -9.500 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: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -192.463781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.463781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.463781 (E_RNA) where: Base-Base interactions energy: -132.249 where: short stacking energy: -54.508 Base-Backbone interact. energy: -0.069 local terms energy: -60.145918 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -10.449 flat angles C4'-P-C4' energy: -10.771 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -84.259293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.259293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.259293 (E_RNA) where: Base-Base interactions energy: -33.631 where: short stacking energy: -33.631 Base-Backbone interact. energy: -0.003 local terms energy: -50.625375 where: bonds (distance) C4'-P energy: -10.707 bonds (distance) P-C4' energy: -10.066 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -10.176 tors. eta vs tors. theta energy: -7.828 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: 1 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -72.749885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.749885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.749885 (E_RNA) where: Base-Base interactions energy: -26.612 where: short stacking energy: -26.612 Base-Backbone interact. energy: 0.409 local terms energy: -46.546342 where: bonds (distance) C4'-P energy: -15.935 bonds (distance) P-C4' energy: -8.763 flat angles C4'-P-C4' energy: -10.278 flat angles P-C4'-P energy: -9.493 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: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -219.704509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.704509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.704509 (E_RNA) where: Base-Base interactions energy: -150.686 where: short stacking energy: -61.161 Base-Backbone interact. energy: -0.574 local terms energy: -68.444136 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -16.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -218.818191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.818191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.818191 (E_RNA) where: Base-Base interactions energy: -142.100 where: short stacking energy: -68.416 Base-Backbone interact. energy: -0.015 local terms energy: -76.702860 where: bonds (distance) C4'-P energy: -14.172 bonds (distance) P-C4' energy: -15.335 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -12.502 tors. eta vs tors. theta energy: -21.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -213.314463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.314463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.314463 (E_RNA) where: Base-Base interactions energy: -146.016 where: short stacking energy: -59.936 Base-Backbone interact. energy: -0.655 local terms energy: -66.643352 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -14.361 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -15.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -212.763241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.763241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.763241 (E_RNA) where: Base-Base interactions energy: -138.213 where: short stacking energy: -62.184 Base-Backbone interact. energy: -0.635 local terms energy: -73.915410 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -10.707 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: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -204.293040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.293040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.293040 (E_RNA) where: Base-Base interactions energy: -136.535 where: short stacking energy: -60.479 Base-Backbone interact. energy: -0.296 local terms energy: -67.461904 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -8.734 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: 6, replica: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -204.932587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.932587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.932587 (E_RNA) where: Base-Base interactions energy: -138.429 where: short stacking energy: -61.891 Base-Backbone interact. energy: -0.028 local terms energy: -66.475670 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -12.784 flat angles P-C4'-P energy: -8.924 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: 7, replica: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -205.715401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.715401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.715401 (E_RNA) where: Base-Base interactions energy: -144.272 where: short stacking energy: -64.093 Base-Backbone interact. energy: -0.030 local terms energy: -61.413968 where: bonds (distance) C4'-P energy: -7.669 bonds (distance) P-C4' energy: -13.267 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -18.602 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: 8, replica: 10 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -206.056928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.056928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.056928 (E_RNA) where: Base-Base interactions energy: -143.585 where: short stacking energy: -64.313 Base-Backbone interact. energy: -0.012 local terms energy: -62.460186 where: bonds (distance) C4'-P energy: -10.111 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -15.304 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: 1 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -75.329356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.329356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.329356 (E_RNA) where: Base-Base interactions energy: -32.370 where: short stacking energy: -29.193 Base-Backbone interact. energy: -0.265 local terms energy: -42.694003 where: bonds (distance) C4'-P energy: -10.209 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -0.500 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: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -77.389926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.389926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.389926 (E_RNA) where: Base-Base interactions energy: -20.916 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.007 local terms energy: -56.467171 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -12.969 flat angles P-C4'-P energy: -10.853 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -220.471184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.471184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.471184 (E_RNA) where: Base-Base interactions energy: -145.310 where: short stacking energy: -63.463 Base-Backbone interact. energy: -0.366 local terms energy: -74.795716 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -218.290244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.290244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.290244 (E_RNA) where: Base-Base interactions energy: -148.393 where: short stacking energy: -66.580 Base-Backbone interact. energy: -0.065 local terms energy: -69.832785 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -15.243 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -18.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -221.041867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.041867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.041867 (E_RNA) where: Base-Base interactions energy: -147.765 where: short stacking energy: -65.428 Base-Backbone interact. energy: -0.578 local terms energy: -72.698804 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -20.578 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: 475 Temperature: 1.050000 Total energy: -211.269770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.269770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.269770 (E_RNA) where: Base-Base interactions energy: -145.226 where: short stacking energy: -64.293 Base-Backbone interact. energy: -0.005 local terms energy: -66.039129 where: bonds (distance) C4'-P energy: -10.691 bonds (distance) P-C4' energy: -15.586 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -17.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -203.677544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.677544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.677544 (E_RNA) where: Base-Base interactions energy: -140.483 where: short stacking energy: -61.644 Base-Backbone interact. energy: -0.575 local terms energy: -62.620047 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -9.063 tors. eta vs tors. theta energy: -17.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -203.362553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.362553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.362553 (E_RNA) where: Base-Base interactions energy: -133.465 where: short stacking energy: -55.988 Base-Backbone interact. energy: -0.012 local terms energy: -69.886095 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -17.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -199.771085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.771085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.771085 (E_RNA) where: Base-Base interactions energy: -130.031 where: short stacking energy: -57.064 Base-Backbone interact. energy: -0.092 local terms energy: -69.648286 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -10.872 tors. eta vs tors. theta energy: -14.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -189.417208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.417208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.417208 (E_RNA) where: Base-Base interactions energy: -128.789 where: short stacking energy: -50.306 Base-Backbone interact. energy: -0.641 local terms energy: -59.987213 where: bonds (distance) C4'-P energy: -10.962 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -11.512 tors. eta vs tors. theta energy: -15.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -87.450690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.450690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.450690 (E_RNA) where: Base-Base interactions energy: -36.695 where: short stacking energy: -30.727 Base-Backbone interact. energy: 0.500 local terms energy: -51.255414 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -15.586 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -10.086 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: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -75.272429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.272429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.272429 (E_RNA) where: Base-Base interactions energy: -26.497 where: short stacking energy: -18.669 Base-Backbone interact. energy: -0.068 local terms energy: -48.707049 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -15.034 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -223.589797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.589797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.589797 (E_RNA) where: Base-Base interactions energy: -153.636 where: short stacking energy: -67.904 Base-Backbone interact. energy: -0.732 local terms energy: -69.222360 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -20.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -218.583163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.583163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.583163 (E_RNA) where: Base-Base interactions energy: -147.210 where: short stacking energy: -67.383 Base-Backbone interact. energy: -0.026 local terms energy: -71.347379 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -17.904 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: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -208.413282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.413282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.413282 (E_RNA) where: Base-Base interactions energy: -149.066 where: short stacking energy: -61.585 Base-Backbone interact. energy: -0.119 local terms energy: -59.228451 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -11.438 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -7.861 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: 4, replica: 3 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -213.757492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.757492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.757492 (E_RNA) where: Base-Base interactions energy: -139.633 where: short stacking energy: -67.869 Base-Backbone interact. energy: -0.011 local terms energy: -74.113555 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -14.337 flat angles P-C4'-P energy: -9.825 tors. eta vs tors. theta energy: -19.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -210.676056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.676056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.676056 (E_RNA) where: Base-Base interactions energy: -141.877 where: short stacking energy: -63.125 Base-Backbone interact. energy: 0.492 local terms energy: -69.290484 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -9.845 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: 6, replica: 2 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -209.026298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.026298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.026298 (E_RNA) where: Base-Base interactions energy: -139.492 where: short stacking energy: -57.027 Base-Backbone interact. energy: 0.230 local terms energy: -69.763893 where: bonds (distance) C4'-P energy: -15.057 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -9.787 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: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -194.700266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.700266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.700266 (E_RNA) where: Base-Base interactions energy: -136.643 where: short stacking energy: -59.365 Base-Backbone interact. energy: -0.010 local terms energy: -58.047409 where: bonds (distance) C4'-P energy: -8.861 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -11.054 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -11.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -191.136129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.136129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.136129 (E_RNA) where: Base-Base interactions energy: -132.850 where: short stacking energy: -46.008 Base-Backbone interact. energy: -0.411 local terms energy: -57.875070 where: bonds (distance) C4'-P energy: -12.622 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -14.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -71.309133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.309133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.309133 (E_RNA) where: Base-Base interactions energy: -30.452 where: short stacking energy: -22.569 Base-Backbone interact. energy: -1.052 local terms energy: -39.805792 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -11.117 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: 1.065 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: 476 Temperature: 1.350000 Total energy: -73.147722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.147722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.147722 (E_RNA) where: Base-Base interactions energy: -27.309 where: short stacking energy: -27.309 Base-Backbone interact. energy: -0.173 local terms energy: -45.666260 where: bonds (distance) C4'-P energy: -10.130 bonds (distance) P-C4' energy: -11.420 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -219.201435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.201435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.201435 (E_RNA) where: Base-Base interactions energy: -147.394 where: short stacking energy: -69.470 Base-Backbone interact. energy: -0.000 local terms energy: -71.807420 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -12.669 tors. eta vs tors. theta energy: -19.055 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: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -219.900438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.900438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.900438 (E_RNA) where: Base-Base interactions energy: -144.366 where: short stacking energy: -60.624 Base-Backbone interact. energy: -0.033 local terms energy: -75.500994 where: bonds (distance) C4'-P energy: -15.385 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -10.288 tors. eta vs tors. theta energy: -19.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -213.350940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.350940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.350940 (E_RNA) where: Base-Base interactions energy: -145.313 where: short stacking energy: -62.889 Base-Backbone interact. energy: 3.160 local terms energy: -71.198306 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -11.052 tors. eta vs tors. theta energy: -17.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -206.769203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.769203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.769203 (E_RNA) where: Base-Base interactions energy: -147.090 where: short stacking energy: -61.833 Base-Backbone interact. energy: -0.009 local terms energy: -59.669758 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -10.723 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -18.358 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: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -202.138556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.138556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.138556 (E_RNA) where: Base-Base interactions energy: -137.244 where: short stacking energy: -58.824 Base-Backbone interact. energy: 0.371 local terms energy: -65.266051 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -15.272 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -13.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -204.633617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.633617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.633617 (E_RNA) where: Base-Base interactions energy: -146.663 where: short stacking energy: -63.277 Base-Backbone interact. energy: -0.000 local terms energy: -57.969776 where: bonds (distance) C4'-P energy: -10.109 bonds (distance) P-C4' energy: -8.844 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -18.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -200.053051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.053051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.053051 (E_RNA) where: Base-Base interactions energy: -141.135 where: short stacking energy: -53.556 Base-Backbone interact. energy: -0.061 local terms energy: -58.857660 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -10.593 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: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -195.345691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.345691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.345691 (E_RNA) where: Base-Base interactions energy: -136.744 where: short stacking energy: -56.434 Base-Backbone interact. energy: -0.074 local terms energy: -58.528209 where: bonds (distance) C4'-P energy: -9.064 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -15.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -77.135523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.135523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.135523 (E_RNA) where: Base-Base interactions energy: -38.238 where: short stacking energy: -26.305 Base-Backbone interact. energy: 0.286 local terms energy: -39.183936 where: bonds (distance) C4'-P energy: -9.965 bonds (distance) P-C4' energy: -10.406 flat angles C4'-P-C4' energy: -9.971 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -67.426960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.426960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.426960 (E_RNA) where: Base-Base interactions energy: -25.791 where: short stacking energy: -25.071 Base-Backbone interact. energy: -0.313 local terms energy: -41.323212 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -9.670 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -6.357 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: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -226.518910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.518910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.518910 (E_RNA) where: Base-Base interactions energy: -154.518 where: short stacking energy: -69.909 Base-Backbone interact. energy: -0.000 local terms energy: -72.000664 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -21.746 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: 9 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -221.370183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.370183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.370183 (E_RNA) where: Base-Base interactions energy: -151.969 where: short stacking energy: -66.842 Base-Backbone interact. energy: -0.001 local terms energy: -69.400029 where: bonds (distance) C4'-P energy: -13.940 bonds (distance) P-C4' energy: -11.433 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -10.917 tors. eta vs tors. theta energy: -19.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -205.207347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.207347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.207347 (E_RNA) where: Base-Base interactions energy: -141.038 where: short stacking energy: -55.473 Base-Backbone interact. energy: 1.075 local terms energy: -65.244161 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -14.642 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: 4, replica: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -214.968984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.968984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.968984 (E_RNA) where: Base-Base interactions energy: -144.107 where: short stacking energy: -65.167 Base-Backbone interact. energy: -0.008 local terms energy: -70.853771 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -12.967 tors. eta vs tors. theta energy: -17.528 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: 10 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -204.990313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.990313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.990313 (E_RNA) where: Base-Base interactions energy: -146.405 where: short stacking energy: -61.827 Base-Backbone interact. energy: -0.206 local terms energy: -58.379391 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -11.184 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -16.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -208.004328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.004328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.004328 (E_RNA) where: Base-Base interactions energy: -139.686 where: short stacking energy: -54.732 Base-Backbone interact. energy: -0.028 local terms energy: -68.289633 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -14.012 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -7.444 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: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -200.631980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.631980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.631980 (E_RNA) where: Base-Base interactions energy: -136.300 where: short stacking energy: -62.456 Base-Backbone interact. energy: -0.035 local terms energy: -64.296730 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -9.668 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: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -187.610436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.610436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.610436 (E_RNA) where: Base-Base interactions energy: -134.837 where: short stacking energy: -55.165 Base-Backbone interact. energy: -0.060 local terms energy: -52.713001 where: bonds (distance) C4'-P energy: -8.776 bonds (distance) P-C4' energy: -14.252 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -15.014 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: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -83.794586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.794586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.794586 (E_RNA) where: Base-Base interactions energy: -33.673 where: short stacking energy: -33.209 Base-Backbone interact. energy: -0.235 local terms energy: -49.886281 where: bonds (distance) C4'-P energy: -7.477 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -9.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -72.844645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.844645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.844645 (E_RNA) where: Base-Base interactions energy: -33.901 where: short stacking energy: -29.737 Base-Backbone interact. energy: 4.707 local terms energy: -43.651077 where: bonds (distance) C4'-P energy: -12.995 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -0.362 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: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -220.265713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.265713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.265713 (E_RNA) where: Base-Base interactions energy: -145.807 where: short stacking energy: -62.915 Base-Backbone interact. energy: -0.450 local terms energy: -74.008689 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -12.705 tors. eta vs tors. theta energy: -19.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -213.604809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.604809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.604809 (E_RNA) where: Base-Base interactions energy: -144.318 where: short stacking energy: -64.139 Base-Backbone interact. energy: -0.040 local terms energy: -69.246877 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -10.549 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: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -212.997707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.997707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.997707 (E_RNA) where: Base-Base interactions energy: -145.121 where: short stacking energy: -61.799 Base-Backbone interact. energy: -0.038 local terms energy: -67.838421 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -12.868 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -10.690 tors. eta vs tors. theta energy: -18.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -204.746573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.746573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.746573 (E_RNA) where: Base-Base interactions energy: -142.004 where: short stacking energy: -59.821 Base-Backbone interact. energy: -0.094 local terms energy: -62.648073 where: bonds (distance) C4'-P energy: -12.913 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -9.308 flat angles P-C4'-P energy: -7.801 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: 5, replica: 10 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -194.749562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.749562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.749562 (E_RNA) where: Base-Base interactions energy: -133.682 where: short stacking energy: -53.608 Base-Backbone interact. energy: -0.064 local terms energy: -61.004164 where: bonds (distance) C4'-P energy: -11.149 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -8.167 tors. eta vs tors. theta energy: -11.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -202.245640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.245640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.245640 (E_RNA) where: Base-Base interactions energy: -141.927 where: short stacking energy: -59.273 Base-Backbone interact. energy: -0.169 local terms energy: -60.149549 where: bonds (distance) C4'-P energy: -9.916 bonds (distance) P-C4' energy: -11.680 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -13.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -194.320171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.320171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.320171 (E_RNA) where: Base-Base interactions energy: -135.039 where: short stacking energy: -55.879 Base-Backbone interact. energy: -0.074 local terms energy: -59.207366 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -12.693 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -16.561 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: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -191.801292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.801292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.801292 (E_RNA) where: Base-Base interactions energy: -133.262 where: short stacking energy: -51.117 Base-Backbone interact. energy: -0.157 local terms energy: -58.382555 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -11.025 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -9.511 tors. eta vs tors. theta energy: -11.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -88.749774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.749774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.749774 (E_RNA) where: Base-Base interactions energy: -42.780 where: short stacking energy: -20.545 Base-Backbone interact. energy: -0.625 local terms energy: -45.344482 where: bonds (distance) C4'-P energy: -9.013 bonds (distance) P-C4' energy: -15.735 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: 4.813 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: 479 Temperature: 1.350000 Total energy: -74.890998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.890998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.890998 (E_RNA) where: Base-Base interactions energy: -29.583 where: short stacking energy: -29.583 Base-Backbone interact. energy: -0.055 local terms energy: -45.253446 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -7.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -217.577049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.577049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.577049 (E_RNA) where: Base-Base interactions energy: -147.983 where: short stacking energy: -64.161 Base-Backbone interact. energy: 0.095 local terms energy: -69.688715 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -16.893 flat angles C4'-P-C4' energy: -16.282 flat angles P-C4'-P energy: -12.271 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: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -214.141247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.141247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.141247 (E_RNA) where: Base-Base interactions energy: -145.424 where: short stacking energy: -65.718 Base-Backbone interact. energy: -0.207 local terms energy: -68.510742 where: bonds (distance) C4'-P energy: -14.085 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -16.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -216.091255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.091255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.091255 (E_RNA) where: Base-Base interactions energy: -142.572 where: short stacking energy: -61.483 Base-Backbone interact. energy: -0.238 local terms energy: -73.280973 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -11.932 tors. eta vs tors. theta energy: -19.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -208.566821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.566821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.566821 (E_RNA) where: Base-Base interactions energy: -140.516 where: short stacking energy: -58.329 Base-Backbone interact. energy: -0.176 local terms energy: -67.874647 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -11.339 flat angles P-C4'-P energy: -10.856 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: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -206.495599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.495599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.495599 (E_RNA) where: Base-Base interactions energy: -140.862 where: short stacking energy: -58.793 Base-Backbone interact. energy: -0.332 local terms energy: -65.301508 where: bonds (distance) C4'-P energy: -10.011 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -11.417 flat angles P-C4'-P energy: -11.865 tors. eta vs tors. theta energy: -18.703 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: 6, replica: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -189.801781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.801781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.801781 (E_RNA) where: Base-Base interactions energy: -128.508 where: short stacking energy: -51.652 Base-Backbone interact. energy: 0.072 local terms energy: -61.366036 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -8.412 flat angles C4'-P-C4' energy: -15.785 flat angles P-C4'-P energy: -7.412 tors. eta vs tors. theta energy: -15.681 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: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -200.776023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.776023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.776023 (E_RNA) where: Base-Base interactions energy: -141.894 where: short stacking energy: -57.467 Base-Backbone interact. energy: -0.012 local terms energy: -58.870583 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -11.583 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -13.473 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: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -188.274267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.274267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.274267 (E_RNA) where: Base-Base interactions energy: -129.773 where: short stacking energy: -52.586 Base-Backbone interact. energy: -0.142 local terms energy: -58.359225 where: bonds (distance) C4'-P energy: -9.008 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -9.295 tors. eta vs tors. theta energy: -14.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -96.130453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.130453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.130453 (E_RNA) where: Base-Base interactions energy: -49.630 where: short stacking energy: -31.220 Base-Backbone interact. energy: -0.582 local terms energy: -45.918614 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -15.458 flat angles P-C4'-P energy: -6.797 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -74.647983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.647983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.647983 (E_RNA) where: Base-Base interactions energy: -26.610 where: short stacking energy: -26.610 Base-Backbone interact. energy: -0.145 local terms energy: -47.893198 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -8.061 tors. eta vs tors. theta energy: -2.909 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: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -225.017213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.017213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.017213 (E_RNA) where: Base-Base interactions energy: -153.742 where: short stacking energy: -70.475 Base-Backbone interact. energy: -0.657 local terms energy: -70.617779 where: bonds (distance) C4'-P energy: -13.500 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -18.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -223.237035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.237035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.237035 (E_RNA) where: Base-Base interactions energy: -156.066 where: short stacking energy: -62.825 Base-Backbone interact. energy: -0.068 local terms energy: -67.103355 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -10.746 tors. eta vs tors. theta energy: -15.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -217.375089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.375089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.375089 (E_RNA) where: Base-Base interactions energy: -149.770 where: short stacking energy: -63.159 Base-Backbone interact. energy: -0.071 local terms energy: -67.533842 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -13.675 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -11.504 tors. eta vs tors. theta energy: -20.287 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: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -206.486381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.486381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.486381 (E_RNA) where: Base-Base interactions energy: -139.611 where: short stacking energy: -56.230 Base-Backbone interact. energy: -0.022 local terms energy: -66.853839 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -13.656 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -10.289 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: 5, replica: 2 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -207.739930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.739930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.739930 (E_RNA) where: Base-Base interactions energy: -149.270 where: short stacking energy: -62.077 Base-Backbone interact. energy: -0.176 local terms energy: -58.294207 where: bonds (distance) C4'-P energy: -10.938 bonds (distance) P-C4' energy: -7.722 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -16.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -200.344691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.344691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.344691 (E_RNA) where: Base-Base interactions energy: -130.699 where: short stacking energy: -59.103 Base-Backbone interact. energy: -1.054 local terms energy: -68.592105 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -16.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -196.288594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.288594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.288594 (E_RNA) where: Base-Base interactions energy: -131.931 where: short stacking energy: -56.884 Base-Backbone interact. energy: -0.078 local terms energy: -64.279455 where: bonds (distance) C4'-P energy: -12.055 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -11.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -177.897082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.897082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.897082 (E_RNA) where: Base-Base interactions energy: -121.613 where: short stacking energy: -55.187 Base-Backbone interact. energy: -0.080 local terms energy: -56.203793 where: bonds (distance) C4'-P energy: -12.664 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -14.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -87.486502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.486502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.486502 (E_RNA) where: Base-Base interactions energy: -43.177 where: short stacking energy: -17.727 Base-Backbone interact. energy: -0.180 local terms energy: -44.129530 where: bonds (distance) C4'-P energy: -11.298 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -10.314 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -82.358254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.358254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.358254 (E_RNA) where: Base-Base interactions energy: -27.198 where: short stacking energy: -27.198 Base-Backbone interact. energy: -0.171 local terms energy: -54.989158 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -7.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -221.088233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.088233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.088233 (E_RNA) where: Base-Base interactions energy: -151.284 where: short stacking energy: -65.435 Base-Backbone interact. energy: -0.198 local terms energy: -69.605859 where: bonds (distance) C4'-P energy: -14.586 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -8.487 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: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -224.882157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.882157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.882157 (E_RNA) where: Base-Base interactions energy: -152.914 where: short stacking energy: -64.772 Base-Backbone interact. energy: -0.073 local terms energy: -71.894379 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -12.015 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: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -222.314300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.314300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.314300 (E_RNA) where: Base-Base interactions energy: -152.649 where: short stacking energy: -71.760 Base-Backbone interact. energy: -0.160 local terms energy: -69.505472 where: bonds (distance) C4'-P energy: -13.969 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -20.761 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: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -207.468794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.468794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.468794 (E_RNA) where: Base-Base interactions energy: -146.953 where: short stacking energy: -62.627 Base-Backbone interact. energy: -0.244 local terms energy: -60.271982 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -10.789 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -9.001 tors. eta vs tors. theta energy: -13.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -208.851129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.851129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.851129 (E_RNA) where: Base-Base interactions energy: -143.587 where: short stacking energy: -61.622 Base-Backbone interact. energy: -0.084 local terms energy: -65.179860 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -7.981 tors. eta vs tors. theta energy: -17.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -199.511779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.511779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.511779 (E_RNA) where: Base-Base interactions energy: -134.150 where: short stacking energy: -53.454 Base-Backbone interact. energy: -0.011 local terms energy: -65.350448 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -15.654 flat angles P-C4'-P energy: -11.141 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: 10 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -205.779044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.779044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.779044 (E_RNA) where: Base-Base interactions energy: -142.571 where: short stacking energy: -63.430 Base-Backbone interact. energy: -0.158 local terms energy: -63.050547 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -7.356 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: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -196.798102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.798102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.798102 (E_RNA) where: Base-Base interactions energy: -135.892 where: short stacking energy: -56.339 Base-Backbone interact. energy: -0.021 local terms energy: -60.885345 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -17.045 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: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -80.443765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.443765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.443765 (E_RNA) where: Base-Base interactions energy: -30.204 where: short stacking energy: -30.204 Base-Backbone interact. energy: -0.255 local terms energy: -49.985191 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -7.064 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -71.555048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.555048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.555048 (E_RNA) where: Base-Base interactions energy: -27.044 where: short stacking energy: -24.765 Base-Backbone interact. energy: -0.375 local terms energy: -44.136260 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -6.737 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: 5 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -218.723259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.723259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.723259 (E_RNA) where: Base-Base interactions energy: -149.918 where: short stacking energy: -68.178 Base-Backbone interact. energy: -0.003 local terms energy: -68.801783 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -15.844 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -18.080 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: 2, replica: 8 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -220.943627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.943627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.943627 (E_RNA) where: Base-Base interactions energy: -148.952 where: short stacking energy: -68.730 Base-Backbone interact. energy: -0.100 local terms energy: -71.891677 where: bonds (distance) C4'-P energy: -13.451 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -12.145 flat angles P-C4'-P energy: -12.101 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: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -216.699587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.699587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.699587 (E_RNA) where: Base-Base interactions energy: -151.762 where: short stacking energy: -64.217 Base-Backbone interact. energy: -0.195 local terms energy: -64.742726 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -10.893 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -17.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -211.826384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.826384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.826384 (E_RNA) where: Base-Base interactions energy: -140.930 where: short stacking energy: -57.246 Base-Backbone interact. energy: -0.023 local terms energy: -70.873591 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -13.789 flat angles C4'-P-C4' energy: -15.354 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -17.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -216.797811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.797811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.797811 (E_RNA) where: Base-Base interactions energy: -147.605 where: short stacking energy: -63.015 Base-Backbone interact. energy: -0.110 local terms energy: -69.081953 where: bonds (distance) C4'-P energy: -12.482 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -18.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -205.281236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.281236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.281236 (E_RNA) where: Base-Base interactions energy: -144.994 where: short stacking energy: -61.906 Base-Backbone interact. energy: -0.025 local terms energy: -60.262260 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -11.251 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -19.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -199.150981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.150981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.150981 (E_RNA) where: Base-Base interactions energy: -135.096 where: short stacking energy: -55.719 Base-Backbone interact. energy: -0.004 local terms energy: -64.051530 where: bonds (distance) C4'-P energy: -10.644 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -17.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -199.746920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.746920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.746920 (E_RNA) where: Base-Base interactions energy: -136.161 where: short stacking energy: -58.330 Base-Backbone interact. energy: -0.658 local terms energy: -62.928245 where: bonds (distance) C4'-P energy: -8.914 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -9.690 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: 9, replica: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -77.845276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.845276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.845276 (E_RNA) where: Base-Base interactions energy: -29.559 where: short stacking energy: -29.559 Base-Backbone interact. energy: -0.007 local terms energy: -48.279812 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -10.269 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -98.786202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.786202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.786202 (E_RNA) where: Base-Base interactions energy: -56.661 where: short stacking energy: -29.625 Base-Backbone interact. energy: -0.248 local terms energy: -41.877082 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -11.006 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -222.314404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.314404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.314404 (E_RNA) where: Base-Base interactions energy: -154.368 where: short stacking energy: -68.030 Base-Backbone interact. energy: -0.016 local terms energy: -67.930574 where: bonds (distance) C4'-P energy: -10.598 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -15.122 flat angles P-C4'-P energy: -8.838 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: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -217.665848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.665848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.665848 (E_RNA) where: Base-Base interactions energy: -147.271 where: short stacking energy: -57.192 Base-Backbone interact. energy: -0.180 local terms energy: -70.214859 where: bonds (distance) C4'-P energy: -11.903 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -12.339 tors. eta vs tors. theta energy: -19.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -215.904843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.904843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.904843 (E_RNA) where: Base-Base interactions energy: -148.211 where: short stacking energy: -67.182 Base-Backbone interact. energy: -1.491 local terms energy: -66.202938 where: bonds (distance) C4'-P energy: -8.868 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -17.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -208.497412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.497412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.497412 (E_RNA) where: Base-Base interactions energy: -141.250 where: short stacking energy: -58.635 Base-Backbone interact. energy: -0.098 local terms energy: -67.149722 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -8.968 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: 5, replica: 10 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -184.135739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.135739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.135739 (E_RNA) where: Base-Base interactions energy: -120.980 where: short stacking energy: -55.122 Base-Backbone interact. energy: -0.284 local terms energy: -62.871391 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -10.915 flat angles C4'-P-C4' energy: -13.226 flat angles P-C4'-P energy: -11.044 tors. eta vs tors. theta energy: -15.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -191.255880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.255880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.255880 (E_RNA) where: Base-Base interactions energy: -134.144 where: short stacking energy: -52.774 Base-Backbone interact. energy: -0.350 local terms energy: -56.762585 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -11.520 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: 7, replica: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -204.408744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.408744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.408744 (E_RNA) where: Base-Base interactions energy: -143.363 where: short stacking energy: -65.387 Base-Backbone interact. energy: -0.837 local terms energy: -60.208647 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -18.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -194.163185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.163185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.163185 (E_RNA) where: Base-Base interactions energy: -135.407 where: short stacking energy: -58.342 Base-Backbone interact. energy: -0.080 local terms energy: -58.676725 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -12.410 tors. eta vs tors. theta energy: -16.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -127.641531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.641531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.641531 (E_RNA) where: Base-Base interactions energy: -82.381 where: short stacking energy: -34.660 Base-Backbone interact. energy: -0.047 local terms energy: -45.213875 where: bonds (distance) C4'-P energy: -12.117 bonds (distance) P-C4' energy: -13.785 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -75.092111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.092111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.092111 (E_RNA) where: Base-Base interactions energy: -25.627 where: short stacking energy: -20.693 Base-Backbone interact. energy: -0.593 local terms energy: -48.872159 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -222.534829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.534829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.534829 (E_RNA) where: Base-Base interactions energy: -147.605 where: short stacking energy: -65.829 Base-Backbone interact. energy: -0.631 local terms energy: -74.298290 where: bonds (distance) C4'-P energy: -14.240 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -16.643 flat angles P-C4'-P energy: -8.737 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: 2, replica: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -215.942001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.942001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.942001 (E_RNA) where: Base-Base interactions energy: -147.150 where: short stacking energy: -63.410 Base-Backbone interact. energy: -0.009 local terms energy: -68.782868 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -11.183 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: 3, replica: 5 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -216.242604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.242604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.242604 (E_RNA) where: Base-Base interactions energy: -147.696 where: short stacking energy: -56.536 Base-Backbone interact. energy: -0.616 local terms energy: -67.930388 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -10.746 flat angles C4'-P-C4' energy: -15.802 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -206.632407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.632407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.632407 (E_RNA) where: Base-Base interactions energy: -146.053 where: short stacking energy: -60.468 Base-Backbone interact. energy: -0.620 local terms energy: -59.959783 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -10.016 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -17.338 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: 2 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -207.708677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.708677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.708677 (E_RNA) where: Base-Base interactions energy: -141.048 where: short stacking energy: -55.683 Base-Backbone interact. energy: -0.489 local terms energy: -66.171544 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -11.257 tors. eta vs tors. theta energy: -15.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -200.038477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.038477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.038477 (E_RNA) where: Base-Base interactions energy: -141.136 where: short stacking energy: -61.695 Base-Backbone interact. energy: -0.000 local terms energy: -58.902464 where: bonds (distance) C4'-P energy: -9.374 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -18.522 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: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -193.569750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.569750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.569750 (E_RNA) where: Base-Base interactions energy: -136.219 where: short stacking energy: -51.166 Base-Backbone interact. energy: -1.303 local terms energy: -56.047937 where: bonds (distance) C4'-P energy: -14.251 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -13.355 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -12.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -152.511353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.511353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.511353 (E_RNA) where: Base-Base interactions energy: -101.750 where: short stacking energy: -39.612 Base-Backbone interact. energy: 1.633 local terms energy: -52.395187 where: bonds (distance) C4'-P energy: -8.807 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -12.023 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: 6 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -161.439353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.439353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.439353 (E_RNA) where: Base-Base interactions energy: -124.753 where: short stacking energy: -51.525 Base-Backbone interact. energy: -0.149 local terms energy: -36.537736 where: bonds (distance) C4'-P energy: -5.174 bonds (distance) P-C4' energy: -5.710 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -9.148 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: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -79.725965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.725965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.725965 (E_RNA) where: Base-Base interactions energy: -33.890 where: short stacking energy: -30.225 Base-Backbone interact. energy: -0.051 local terms energy: -45.785133 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -12.429 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -224.331516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.331516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.331516 (E_RNA) where: Base-Base interactions energy: -150.686 where: short stacking energy: -65.548 Base-Backbone interact. energy: -0.334 local terms energy: -73.312228 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -20.154 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: 8 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -223.916847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.916847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.916847 (E_RNA) where: Base-Base interactions energy: -153.471 where: short stacking energy: -69.231 Base-Backbone interact. energy: -1.240 local terms energy: -69.206179 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -16.413 flat angles P-C4'-P energy: -7.827 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: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -210.161358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.161358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.161358 (E_RNA) where: Base-Base interactions energy: -143.991 where: short stacking energy: -62.460 Base-Backbone interact. energy: -0.019 local terms energy: -66.151949 where: bonds (distance) C4'-P energy: -9.509 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -12.463 tors. eta vs tors. theta energy: -18.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -209.962942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.962942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.962942 (E_RNA) where: Base-Base interactions energy: -149.523 where: short stacking energy: -67.222 Base-Backbone interact. energy: -0.001 local terms energy: -60.438142 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -7.987 flat angles C4'-P-C4' energy: -14.715 flat angles P-C4'-P energy: -6.577 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: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -212.262483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.262483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.262483 (E_RNA) where: Base-Base interactions energy: -138.724 where: short stacking energy: -57.914 Base-Backbone interact. energy: -0.156 local terms energy: -73.382473 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -10.741 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: 6, replica: 2 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -206.954813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.954813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.954813 (E_RNA) where: Base-Base interactions energy: -141.621 where: short stacking energy: -62.378 Base-Backbone interact. energy: -0.103 local terms energy: -65.231463 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -13.658 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -19.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -161.618134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.618134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.618134 (E_RNA) where: Base-Base interactions energy: -121.195 where: short stacking energy: -52.126 Base-Backbone interact. energy: -0.113 local terms energy: -40.310047 where: bonds (distance) C4'-P energy: -8.575 bonds (distance) P-C4' energy: -10.482 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -13.637 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: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -211.024420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.024420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.024420 (E_RNA) where: Base-Base interactions energy: -146.669 where: short stacking energy: -62.119 Base-Backbone interact. energy: -0.039 local terms energy: -64.316662 where: bonds (distance) C4'-P energy: -16.328 bonds (distance) P-C4' energy: -9.083 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -7.557 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: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -187.455863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.455863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.455863 (E_RNA) where: Base-Base interactions energy: -142.053 where: short stacking energy: -63.789 Base-Backbone interact. energy: 1.436 local terms energy: -46.839631 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -8.838 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -16.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -76.418027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.418027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.418027 (E_RNA) where: Base-Base interactions energy: -33.103 where: short stacking energy: -32.719 Base-Backbone interact. energy: -0.118 local terms energy: -43.197507 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -13.288 flat angles C4'-P-C4' energy: -9.901 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -224.833817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.833817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.833817 (E_RNA) where: Base-Base interactions energy: -153.667 where: short stacking energy: -64.497 Base-Backbone interact. energy: -0.596 local terms energy: -70.570193 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -15.676 flat angles P-C4'-P energy: -11.729 tors. eta vs tors. theta energy: -16.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -217.969039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.969039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.969039 (E_RNA) where: Base-Base interactions energy: -149.955 where: short stacking energy: -67.421 Base-Backbone interact. energy: -0.098 local terms energy: -67.916288 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -17.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -212.937070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.937070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.937070 (E_RNA) where: Base-Base interactions energy: -145.942 where: short stacking energy: -65.080 Base-Backbone interact. energy: -0.175 local terms energy: -66.820431 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -10.698 flat angles C4'-P-C4' energy: -15.959 flat angles P-C4'-P energy: -11.961 tors. eta vs tors. theta energy: -18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -215.399877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.399877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.399877 (E_RNA) where: Base-Base interactions energy: -150.010 where: short stacking energy: -63.875 Base-Backbone interact. energy: -0.177 local terms energy: -65.212959 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -11.400 tors. eta vs tors. theta energy: -17.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -208.266615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.266615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.266615 (E_RNA) where: Base-Base interactions energy: -135.606 where: short stacking energy: -57.389 Base-Backbone interact. energy: -0.104 local terms energy: -72.555872 where: bonds (distance) C4'-P energy: -12.715 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -10.230 tors. eta vs tors. theta energy: -19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -202.535515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.535515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.535515 (E_RNA) where: Base-Base interactions energy: -141.125 where: short stacking energy: -63.739 Base-Backbone interact. energy: -0.035 local terms energy: -61.375443 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -18.127 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: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -121.447382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.447382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.447382 (E_RNA) where: Base-Base interactions energy: -71.187 where: short stacking energy: -40.484 Base-Backbone interact. energy: -0.497 local terms energy: -49.763149 where: bonds (distance) C4'-P energy: -10.234 bonds (distance) P-C4' energy: -14.028 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -190.828253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.828253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.828253 (E_RNA) where: Base-Base interactions energy: -127.717 where: short stacking energy: -50.355 Base-Backbone interact. energy: -0.101 local terms energy: -63.010588 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: -14.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -164.599802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.599802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.599802 (E_RNA) where: Base-Base interactions energy: -107.203 where: short stacking energy: -42.116 Base-Backbone interact. energy: -0.239 local terms energy: -57.157857 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -10.707 flat angles C4'-P-C4' energy: -15.396 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -11.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -72.951058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.951058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.951058 (E_RNA) where: Base-Base interactions energy: -30.572 where: short stacking energy: -30.572 Base-Backbone interact. energy: -0.183 local terms energy: -42.196367 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -9.597 flat angles P-C4'-P energy: -0.779 tors. eta vs tors. theta energy: -4.130 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: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -221.932056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.932056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.932056 (E_RNA) where: Base-Base interactions energy: -147.540 where: short stacking energy: -62.387 Base-Backbone interact. energy: -1.342 local terms energy: -73.049983 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -18.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -217.162689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.162689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.162689 (E_RNA) where: Base-Base interactions energy: -149.390 where: short stacking energy: -63.010 Base-Backbone interact. energy: -0.033 local terms energy: -67.739908 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -7.584 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: 3, replica: 8 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -210.488157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.488157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.488157 (E_RNA) where: Base-Base interactions energy: -148.215 where: short stacking energy: -64.319 Base-Backbone interact. energy: 1.548 local terms energy: -63.821308 where: bonds (distance) C4'-P energy: -8.221 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -15.478 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: 3 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -217.229083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.229083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.229083 (E_RNA) where: Base-Base interactions energy: -147.856 where: short stacking energy: -63.952 Base-Backbone interact. energy: -2.162 local terms energy: -67.211393 where: bonds (distance) C4'-P energy: -15.170 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -16.433 flat angles P-C4'-P energy: -7.345 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: 5, replica: 2 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -198.720151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.720151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.720151 (E_RNA) where: Base-Base interactions energy: -134.293 where: short stacking energy: -55.729 Base-Backbone interact. energy: -0.327 local terms energy: -64.100176 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -12.313 tors. eta vs tors. theta energy: -13.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -208.149562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.149562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.149562 (E_RNA) where: Base-Base interactions energy: -139.902 where: short stacking energy: -64.907 Base-Backbone interact. energy: -0.605 local terms energy: -67.642576 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -14.908 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -15.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -206.912636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.912636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.912636 (E_RNA) where: Base-Base interactions energy: -137.552 where: short stacking energy: -59.459 Base-Backbone interact. energy: -0.029 local terms energy: -69.331141 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -16.347 flat angles C4'-P-C4' energy: -15.097 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -15.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -158.354721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.354721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.354721 (E_RNA) where: Base-Base interactions energy: -98.182 where: short stacking energy: -49.663 Base-Backbone interact. energy: -0.000 local terms energy: -60.172168 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -12.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -188.237459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.237459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.237459 (E_RNA) where: Base-Base interactions energy: -125.366 where: short stacking energy: -49.180 Base-Backbone interact. energy: -0.125 local terms energy: -62.746695 where: bonds (distance) C4'-P energy: -16.506 bonds (distance) P-C4' energy: -14.981 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -11.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -80.580648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.580648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.580648 (E_RNA) where: Base-Base interactions energy: -31.947 where: short stacking energy: -31.947 Base-Backbone interact. energy: -0.538 local terms energy: -48.095611 where: bonds (distance) C4'-P energy: -15.787 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -0.164 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: 1, replica: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -225.117301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.117301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.117301 (E_RNA) where: Base-Base interactions energy: -148.841 where: short stacking energy: -68.501 Base-Backbone interact. energy: -0.002 local terms energy: -76.273680 where: bonds (distance) C4'-P energy: -16.568 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -12.174 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: 2, replica: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -220.262177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.262177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.262177 (E_RNA) where: Base-Base interactions energy: -153.919 where: short stacking energy: -69.764 Base-Backbone interact. energy: -0.295 local terms energy: -66.048134 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -21.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -213.056029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.056029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.056029 (E_RNA) where: Base-Base interactions energy: -143.315 where: short stacking energy: -62.544 Base-Backbone interact. energy: 0.184 local terms energy: -69.925457 where: bonds (distance) C4'-P energy: -10.603 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -11.633 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: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -214.215586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.215586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.215586 (E_RNA) where: Base-Base interactions energy: -148.861 where: short stacking energy: -62.532 Base-Backbone interact. energy: -0.668 local terms energy: -64.686312 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -9.114 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: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -209.613259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.613259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.613259 (E_RNA) where: Base-Base interactions energy: -139.053 where: short stacking energy: -62.021 Base-Backbone interact. energy: -0.290 local terms energy: -70.270113 where: bonds (distance) C4'-P energy: -13.054 bonds (distance) P-C4' energy: -9.914 flat angles C4'-P-C4' energy: -14.880 flat angles P-C4'-P energy: -13.095 tors. eta vs tors. theta energy: -19.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -199.999432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.999432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.999432 (E_RNA) where: Base-Base interactions energy: -138.499 where: short stacking energy: -54.245 Base-Backbone interact. energy: -0.089 local terms energy: -61.411117 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -11.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -204.379046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.379046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.379046 (E_RNA) where: Base-Base interactions energy: -137.957 where: short stacking energy: -54.965 Base-Backbone interact. energy: -0.001 local terms energy: -66.420761 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -11.527 flat angles C4'-P-C4' energy: -12.716 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -20.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -164.712417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.712417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.712417 (E_RNA) where: Base-Base interactions energy: -106.460 where: short stacking energy: -41.689 Base-Backbone interact. energy: -0.200 local terms energy: -58.052853 where: bonds (distance) C4'-P energy: -11.833 bonds (distance) P-C4' energy: -12.076 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -11.831 tors. eta vs tors. theta energy: -8.976 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: 6 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -152.505220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.505220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.505220 (E_RNA) where: Base-Base interactions energy: -106.509 where: short stacking energy: -44.689 Base-Backbone interact. energy: -0.007 local terms energy: -45.989249 where: bonds (distance) C4'-P energy: -11.377 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -7.971 tors. eta vs tors. theta energy: -10.224 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: 1 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -68.497694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.497694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.497694 (E_RNA) where: Base-Base interactions energy: -20.939 where: short stacking energy: -20.939 Base-Backbone interact. energy: -0.204 local terms energy: -47.355245 where: bonds (distance) C4'-P energy: -13.062 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -0.261 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: 1, replica: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -219.005447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.005447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.005447 (E_RNA) where: Base-Base interactions energy: -147.516 where: short stacking energy: -62.306 Base-Backbone interact. energy: -0.252 local terms energy: -71.236889 where: bonds (distance) C4'-P energy: -15.972 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -14.843 flat angles P-C4'-P energy: -9.498 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: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -216.903215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.903215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.903215 (E_RNA) where: Base-Base interactions energy: -149.563 where: short stacking energy: -63.922 Base-Backbone interact. energy: -0.539 local terms energy: -66.801479 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -15.675 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -7.151 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: 2 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -218.961131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.961131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.961131 (E_RNA) where: Base-Base interactions energy: -145.012 where: short stacking energy: -62.942 Base-Backbone interact. energy: -1.832 local terms energy: -72.116677 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -16.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -212.373921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.373921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.373921 (E_RNA) where: Base-Base interactions energy: -139.803 where: short stacking energy: -60.197 Base-Backbone interact. energy: -0.062 local terms energy: -72.508879 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -15.337 flat angles P-C4'-P energy: -12.173 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: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -203.906396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.906396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.906396 (E_RNA) where: Base-Base interactions energy: -143.072 where: short stacking energy: -63.009 Base-Backbone interact. energy: -0.129 local terms energy: -60.705564 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -11.844 flat angles C4'-P-C4' energy: -10.801 flat angles P-C4'-P energy: -9.534 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: 6, replica: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -207.103994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.103994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.103994 (E_RNA) where: Base-Base interactions energy: -144.351 where: short stacking energy: -63.984 Base-Backbone interact. energy: -0.135 local terms energy: -62.618167 where: bonds (distance) C4'-P energy: -5.799 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -17.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -197.527437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.527437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.527437 (E_RNA) where: Base-Base interactions energy: -138.156 where: short stacking energy: -56.158 Base-Backbone interact. energy: -0.156 local terms energy: -59.215354 where: bonds (distance) C4'-P energy: -10.964 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -6.527 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: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -160.520297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.520297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.520297 (E_RNA) where: Base-Base interactions energy: -104.138 where: short stacking energy: -50.032 Base-Backbone interact. energy: -0.165 local terms energy: -56.217350 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -11.132 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -12.096 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: 6 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -180.365551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.365551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.365551 (E_RNA) where: Base-Base interactions energy: -132.699 where: short stacking energy: -49.756 Base-Backbone interact. energy: -0.278 local terms energy: -47.388425 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -11.010 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -10.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -76.786461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.786461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.786461 (E_RNA) where: Base-Base interactions energy: -34.036 where: short stacking energy: -27.825 Base-Backbone interact. energy: -0.071 local terms energy: -42.679494 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -10.237 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: 1, replica: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -223.728729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.728729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.728729 (E_RNA) where: Base-Base interactions energy: -153.508 where: short stacking energy: -68.957 Base-Backbone interact. energy: -0.578 local terms energy: -69.642881 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -21.625 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: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -219.431571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.431571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.431571 (E_RNA) where: Base-Base interactions energy: -152.057 where: short stacking energy: -70.507 Base-Backbone interact. energy: -0.020 local terms energy: -67.354433 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -9.197 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: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -213.454899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.454899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.454899 (E_RNA) where: Base-Base interactions energy: -142.699 where: short stacking energy: -66.828 Base-Backbone interact. energy: -0.005 local terms energy: -70.751152 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -15.388 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -20.871 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: 4 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -208.387638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.387638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.387638 (E_RNA) where: Base-Base interactions energy: -144.022 where: short stacking energy: -60.020 Base-Backbone interact. energy: -0.213 local terms energy: -64.152963 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -10.819 tors. eta vs tors. theta energy: -15.744 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: 5, replica: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -196.517069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.517069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.517069 (E_RNA) where: Base-Base interactions energy: -133.807 where: short stacking energy: -52.534 Base-Backbone interact. energy: -0.153 local terms energy: -62.557059 where: bonds (distance) C4'-P energy: -9.377 bonds (distance) P-C4' energy: -16.052 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -11.713 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: 6, replica: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -203.613808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.613808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.613808 (E_RNA) where: Base-Base interactions energy: -142.856 where: short stacking energy: -61.277 Base-Backbone interact. energy: -0.643 local terms energy: -60.115141 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -7.889 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: 7, replica: 3 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -203.226657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.226657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.226657 (E_RNA) where: Base-Base interactions energy: -141.209 where: short stacking energy: -57.657 Base-Backbone interact. energy: -0.325 local terms energy: -61.692672 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -13.857 flat angles C4'-P-C4' energy: -8.875 flat angles P-C4'-P energy: -11.466 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -182.169117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.169117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.169117 (E_RNA) where: Base-Base interactions energy: -117.325 where: short stacking energy: -49.172 Base-Backbone interact. energy: -0.080 local terms energy: -64.764403 where: bonds (distance) C4'-P energy: -12.766 bonds (distance) P-C4' energy: -12.670 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -9.490 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: 9, replica: 6 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -195.628344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.628344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.628344 (E_RNA) where: Base-Base interactions energy: -131.923 where: short stacking energy: -58.243 Base-Backbone interact. energy: -0.927 local terms energy: -62.777864 where: bonds (distance) C4'-P energy: -10.665 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -15.177 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -16.532 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: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -80.936145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.936145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.936145 (E_RNA) where: Base-Base interactions energy: -42.930 where: short stacking energy: -25.648 Base-Backbone interact. energy: -0.097 local terms energy: -37.908330 where: bonds (distance) C4'-P energy: -10.939 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -224.209201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.209201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.209201 (E_RNA) where: Base-Base interactions energy: -150.962 where: short stacking energy: -65.325 Base-Backbone interact. energy: -0.240 local terms energy: -73.007184 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -11.533 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: 2, replica: 8 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -214.196716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.196716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.196716 (E_RNA) where: Base-Base interactions energy: -149.348 where: short stacking energy: -67.374 Base-Backbone interact. energy: -0.005 local terms energy: -64.843944 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -19.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -210.700605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.700605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.700605 (E_RNA) where: Base-Base interactions energy: -144.328 where: short stacking energy: -69.522 Base-Backbone interact. energy: -0.280 local terms energy: -66.092883 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -21.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -208.788638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.788638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.788638 (E_RNA) where: Base-Base interactions energy: -141.862 where: short stacking energy: -59.815 Base-Backbone interact. energy: 0.457 local terms energy: -67.383615 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -8.609 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: 5, replica: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -199.403157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.403157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.403157 (E_RNA) where: Base-Base interactions energy: -136.130 where: short stacking energy: -58.308 Base-Backbone interact. energy: -0.070 local terms energy: -63.203350 where: bonds (distance) C4'-P energy: -10.715 bonds (distance) P-C4' energy: -10.693 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -10.751 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: 5 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -203.482413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.482413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.482413 (E_RNA) where: Base-Base interactions energy: -137.119 where: short stacking energy: -63.729 Base-Backbone interact. energy: -0.013 local terms energy: -66.350632 where: bonds (distance) C4'-P energy: -10.901 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -10.521 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: 7, replica: 7 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -171.044047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.044047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.044047 (E_RNA) where: Base-Base interactions energy: -114.509 where: short stacking energy: -50.344 Base-Backbone interact. energy: -0.002 local terms energy: -56.532796 where: bonds (distance) C4'-P energy: -10.094 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -14.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -198.350158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.350158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.350158 (E_RNA) where: Base-Base interactions energy: -140.767 where: short stacking energy: -61.071 Base-Backbone interact. energy: -0.004 local terms energy: -57.578891 where: bonds (distance) C4'-P energy: -9.730 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -6.811 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: 9, replica: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -191.439658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.439658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.439658 (E_RNA) where: Base-Base interactions energy: -133.802 where: short stacking energy: -58.500 Base-Backbone interact. energy: -0.405 local terms energy: -57.232780 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -9.815 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -17.235 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: 492 Temperature: 1.350000 Total energy: -80.403278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.403278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.403278 (E_RNA) where: Base-Base interactions energy: -43.906 where: short stacking energy: -25.139 Base-Backbone interact. energy: -0.105 local terms energy: -36.391620 where: bonds (distance) C4'-P energy: -7.312 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -1.366 tors. eta vs tors. theta energy: -3.045 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: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -222.065339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.065339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.065339 (E_RNA) where: Base-Base interactions energy: -148.906 where: short stacking energy: -67.579 Base-Backbone interact. energy: 0.183 local terms energy: -73.342223 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -21.707 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: 493 Temperature: 0.950000 Total energy: -220.701589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.701589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.701589 (E_RNA) where: Base-Base interactions energy: -155.701 where: short stacking energy: -67.801 Base-Backbone interact. energy: -0.141 local terms energy: -64.859929 where: bonds (distance) C4'-P energy: -9.908 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -19.174 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: 8 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -213.430768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.430768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.430768 (E_RNA) where: Base-Base interactions energy: -141.775 where: short stacking energy: -59.838 Base-Backbone interact. energy: -0.340 local terms energy: -71.315936 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -14.720 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -11.044 tors. eta vs tors. theta energy: -19.652 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: 4, replica: 9 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -213.561688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.561688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.561688 (E_RNA) where: Base-Base interactions energy: -147.751 where: short stacking energy: -63.750 Base-Backbone interact. energy: -0.043 local terms energy: -65.767359 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -9.764 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -11.250 tors. eta vs tors. theta energy: -19.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -212.226662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.226662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.226662 (E_RNA) where: Base-Base interactions energy: -149.457 where: short stacking energy: -69.236 Base-Backbone interact. energy: -0.006 local terms energy: -62.763699 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -5.121 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: 6, replica: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -209.950446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.950446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.950446 (E_RNA) where: Base-Base interactions energy: -144.644 where: short stacking energy: -60.304 Base-Backbone interact. energy: -0.486 local terms energy: -64.820976 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -12.277 tors. eta vs tors. theta energy: -16.605 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: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -160.081836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.081836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.081836 (E_RNA) where: Base-Base interactions energy: -112.976 where: short stacking energy: -40.557 Base-Backbone interact. energy: -1.421 local terms energy: -45.684986 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -10.667 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -6.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -184.211392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.211392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.211392 (E_RNA) where: Base-Base interactions energy: -132.932 where: short stacking energy: -51.646 Base-Backbone interact. energy: -0.030 local terms energy: -51.249542 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -11.030 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -10.371 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: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -192.503295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.503295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.503295 (E_RNA) where: Base-Base interactions energy: -130.022 where: short stacking energy: -55.429 Base-Backbone interact. energy: -0.066 local terms energy: -62.415608 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -14.884 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -15.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -103.424659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.424659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.424659 (E_RNA) where: Base-Base interactions energy: -61.202 where: short stacking energy: -23.477 Base-Backbone interact. energy: -0.127 local terms energy: -42.095412 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -1.328 tors. eta vs tors. theta energy: 1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -224.073073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.073073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.073073 (E_RNA) where: Base-Base interactions energy: -151.416 where: short stacking energy: -69.163 Base-Backbone interact. energy: -0.003 local terms energy: -72.654633 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -11.832 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: 2, replica: 10 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -221.429593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.429593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.429593 (E_RNA) where: Base-Base interactions energy: -150.177 where: short stacking energy: -68.490 Base-Backbone interact. energy: -2.156 local terms energy: -69.095766 where: bonds (distance) C4'-P energy: -14.805 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -7.146 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: 3, replica: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -215.189383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.189383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.189383 (E_RNA) where: Base-Base interactions energy: -146.791 where: short stacking energy: -68.910 Base-Backbone interact. energy: -0.648 local terms energy: -67.750072 where: bonds (distance) C4'-P energy: -12.760 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -19.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -203.383489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.383489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.383489 (E_RNA) where: Base-Base interactions energy: -139.236 where: short stacking energy: -57.781 Base-Backbone interact. energy: -1.273 local terms energy: -62.874687 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -10.800 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -9.736 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: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -209.195787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.195787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.195787 (E_RNA) where: Base-Base interactions energy: -141.678 where: short stacking energy: -61.491 Base-Backbone interact. energy: -0.061 local terms energy: -67.456616 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -6.538 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: 6, replica: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -195.213575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.213575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.213575 (E_RNA) where: Base-Base interactions energy: -137.675 where: short stacking energy: -59.059 Base-Backbone interact. energy: -0.216 local terms energy: -57.322659 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -8.723 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -13.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -206.630214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.630214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.630214 (E_RNA) where: Base-Base interactions energy: -142.601 where: short stacking energy: -67.238 Base-Backbone interact. energy: -0.005 local terms energy: -64.023425 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -11.999 flat angles C4'-P-C4' energy: -9.902 flat angles P-C4'-P energy: -8.395 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: 8, replica: 7 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -173.781888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.781888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.781888 (E_RNA) where: Base-Base interactions energy: -116.478 where: short stacking energy: -44.616 Base-Backbone interact. energy: -0.099 local terms energy: -57.205289 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -14.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -93.066615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.066615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.066615 (E_RNA) where: Base-Base interactions energy: -55.958 where: short stacking energy: -25.832 Base-Backbone interact. energy: 2.498 local terms energy: -39.606284 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -8.867 flat angles C4'-P-C4' energy: -11.044 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: 1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -148.560507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.560507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.560507 (E_RNA) where: Base-Base interactions energy: -104.941 where: short stacking energy: -39.701 Base-Backbone interact. energy: -0.008 local terms energy: -43.610778 where: bonds (distance) C4'-P energy: -9.216 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -7.607 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: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -220.456168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.456168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.456168 (E_RNA) where: Base-Base interactions energy: -145.680 where: short stacking energy: -65.678 Base-Backbone interact. energy: -0.018 local terms energy: -74.758229 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -12.863 tors. eta vs tors. theta energy: -18.400 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: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -214.782894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.782894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.782894 (E_RNA) where: Base-Base interactions energy: -142.183 where: short stacking energy: -68.222 Base-Backbone interact. energy: -0.000 local terms energy: -72.599530 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -14.341 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -8.840 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: 10 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -214.191179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.191179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.191179 (E_RNA) where: Base-Base interactions energy: -145.740 where: short stacking energy: -62.162 Base-Backbone interact. energy: -0.147 local terms energy: -68.303995 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -13.661 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -18.273 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: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -199.817116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.817116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.817116 (E_RNA) where: Base-Base interactions energy: -137.749 where: short stacking energy: -57.470 Base-Backbone interact. energy: -0.303 local terms energy: -61.765101 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -9.634 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -15.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -212.810496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.810496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.810496 (E_RNA) where: Base-Base interactions energy: -142.806 where: short stacking energy: -61.707 Base-Backbone interact. energy: -0.008 local terms energy: -69.996680 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -15.174 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -9.228 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: 6, replica: 6 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -196.760119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.760119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.760119 (E_RNA) where: Base-Base interactions energy: -141.414 where: short stacking energy: -64.661 Base-Backbone interact. energy: -0.010 local terms energy: -55.335965 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -8.463 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -17.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -201.930127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.930127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.930127 (E_RNA) where: Base-Base interactions energy: -139.520 where: short stacking energy: -62.466 Base-Backbone interact. energy: -0.062 local terms energy: -62.347806 where: bonds (distance) C4'-P energy: -9.729 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -13.564 flat angles P-C4'-P energy: -7.255 tors. eta vs tors. theta energy: -17.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -159.824621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.824621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.824621 (E_RNA) where: Base-Base interactions energy: -109.349 where: short stacking energy: -52.648 Base-Backbone interact. energy: -0.015 local terms energy: -50.460412 where: bonds (distance) C4'-P energy: -9.422 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -13.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -79.660568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.660568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.660568 (E_RNA) where: Base-Base interactions energy: -33.577 where: short stacking energy: -28.616 Base-Backbone interact. energy: -0.124 local terms energy: -45.959352 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: 0.726 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: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -141.456353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.456353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.456353 (E_RNA) where: Base-Base interactions energy: -94.411 where: short stacking energy: -35.723 Base-Backbone interact. energy: 0.807 local terms energy: -47.852795 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -6.667 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -222.004528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.004528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.004528 (E_RNA) where: Base-Base interactions energy: -150.238 where: short stacking energy: -69.228 Base-Backbone interact. energy: -0.000 local terms energy: -71.766672 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -15.270 flat angles P-C4'-P energy: -9.780 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: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -220.341175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.341175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.341175 (E_RNA) where: Base-Base interactions energy: -146.845 where: short stacking energy: -67.135 Base-Backbone interact. energy: -0.223 local terms energy: -73.273064 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -11.560 tors. eta vs tors. theta energy: -18.482 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: 5 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -218.484217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.484217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.484217 (E_RNA) where: Base-Base interactions energy: -153.914 where: short stacking energy: -64.392 Base-Backbone interact. energy: -1.293 local terms energy: -63.277566 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -14.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -210.174581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.174581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.174581 (E_RNA) where: Base-Base interactions energy: -144.847 where: short stacking energy: -59.938 Base-Backbone interact. energy: -0.022 local terms energy: -65.306144 where: bonds (distance) C4'-P energy: -7.419 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -17.157 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -16.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -212.085781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.085781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.085781 (E_RNA) where: Base-Base interactions energy: -147.790 where: short stacking energy: -59.767 Base-Backbone interact. energy: -0.002 local terms energy: -64.294142 where: bonds (distance) C4'-P energy: -12.586 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -17.893 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: 6 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -195.176790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.176790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.176790 (E_RNA) where: Base-Base interactions energy: -136.351 where: short stacking energy: -53.953 Base-Backbone interact. energy: 0.718 local terms energy: -59.543898 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -10.766 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -13.416 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: 4 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -198.885524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.885524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.885524 (E_RNA) where: Base-Base interactions energy: -137.849 where: short stacking energy: -59.604 Base-Backbone interact. energy: 0.002 local terms energy: -61.038484 where: bonds (distance) C4'-P energy: -11.283 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -10.180 tors. eta vs tors. theta energy: -13.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -198.380209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.380209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.380209 (E_RNA) where: Base-Base interactions energy: -134.268 where: short stacking energy: -56.871 Base-Backbone interact. energy: -0.011 local terms energy: -64.101717 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -16.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -154.861190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.861190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.861190 (E_RNA) where: Base-Base interactions energy: -104.482 where: short stacking energy: -39.168 Base-Backbone interact. energy: -0.088 local terms energy: -50.291228 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -11.599 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -9.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -71.465153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.465153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.465153 (E_RNA) where: Base-Base interactions energy: -30.721 where: short stacking energy: -23.042 Base-Backbone interact. energy: -0.005 local terms energy: -40.738524 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -8.819 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: 3.115 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: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -217.497370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.497370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.497370 (E_RNA) where: Base-Base interactions energy: -143.803 where: short stacking energy: -65.118 Base-Backbone interact. energy: -0.357 local terms energy: -73.337438 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -14.893 flat angles P-C4'-P energy: -12.121 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: 2, replica: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -223.692988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.692988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.692988 (E_RNA) where: Base-Base interactions energy: -154.672 where: short stacking energy: -70.559 Base-Backbone interact. energy: -0.005 local terms energy: -69.016320 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -12.374 flat angles P-C4'-P energy: -7.971 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: 3, replica: 5 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -210.025893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.025893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.025893 (E_RNA) where: Base-Base interactions energy: -144.638 where: short stacking energy: -59.044 Base-Backbone interact. energy: -0.055 local terms energy: -65.332770 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -12.169 tors. eta vs tors. theta energy: -11.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -212.932981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.932981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.932981 (E_RNA) where: Base-Base interactions energy: -146.669 where: short stacking energy: -68.371 Base-Backbone interact. energy: -0.578 local terms energy: -65.685675 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -10.224 flat angles C4'-P-C4' energy: -13.638 flat angles P-C4'-P energy: -12.293 tors. eta vs tors. theta energy: -18.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -203.777339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.777339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.777339 (E_RNA) where: Base-Base interactions energy: -143.037 where: short stacking energy: -66.245 Base-Backbone interact. energy: -0.203 local terms energy: -60.537388 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -7.554 tors. eta vs tors. theta energy: -17.746 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: 6, replica: 6 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -192.299706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.299706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.299706 (E_RNA) where: Base-Base interactions energy: -130.319 where: short stacking energy: -55.390 Base-Backbone interact. energy: -0.145 local terms energy: -61.836124 where: bonds (distance) C4'-P energy: -14.827 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -10.259 tors. eta vs tors. theta energy: -12.708 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: 4 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -192.914334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.914334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.914334 (E_RNA) where: Base-Base interactions energy: -135.427 where: short stacking energy: -56.850 Base-Backbone interact. energy: -0.209 local terms energy: -57.278276 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -12.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -199.830704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.830704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.830704 (E_RNA) where: Base-Base interactions energy: -137.253 where: short stacking energy: -53.957 Base-Backbone interact. energy: -0.007 local terms energy: -62.570736 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -16.916 flat angles P-C4'-P energy: -7.629 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: 9, replica: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -164.435962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.435962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.435962 (E_RNA) where: Base-Base interactions energy: -112.567 where: short stacking energy: -48.196 Base-Backbone interact. energy: -0.020 local terms energy: -51.848693 where: bonds (distance) C4'-P energy: -11.020 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -9.858 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -7.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -110.673013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.673013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.673013 (E_RNA) where: Base-Base interactions energy: -61.816 where: short stacking energy: -40.863 Base-Backbone interact. energy: -0.046 local terms energy: -48.810641 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -13.429 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -8.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -222.031547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.031547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.031547 (E_RNA) where: Base-Base interactions energy: -145.662 where: short stacking energy: -65.398 Base-Backbone interact. energy: -0.942 local terms energy: -75.427685 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -11.516 tors. eta vs tors. theta energy: -20.691 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: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -214.671081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.671081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.671081 (E_RNA) where: Base-Base interactions energy: -143.838 where: short stacking energy: -65.263 Base-Backbone interact. energy: -0.002 local terms energy: -70.830821 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -11.344 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -10.108 tors. eta vs tors. theta energy: -20.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -204.903662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.903662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.903662 (E_RNA) where: Base-Base interactions energy: -142.169 where: short stacking energy: -52.525 Base-Backbone interact. energy: -0.959 local terms energy: -61.774927 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -16.027 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -10.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -206.921640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.921640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.921640 (E_RNA) where: Base-Base interactions energy: -144.526 where: short stacking energy: -58.353 Base-Backbone interact. energy: -1.124 local terms energy: -61.270938 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -10.374 flat angles C4'-P-C4' energy: -11.635 flat angles P-C4'-P energy: -12.533 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: 5, replica: 6 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -179.987122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.987122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.987122 (E_RNA) where: Base-Base interactions energy: -121.717 where: short stacking energy: -57.619 Base-Backbone interact. energy: -0.084 local terms energy: -58.185809 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -8.127 tors. eta vs tors. theta energy: -15.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -206.563953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.563953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.563953 (E_RNA) where: Base-Base interactions energy: -146.054 where: short stacking energy: -65.631 Base-Backbone interact. energy: -0.018 local terms energy: -60.492152 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -8.742 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -15.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -208.660662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.660662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.660662 (E_RNA) where: Base-Base interactions energy: -138.012 where: short stacking energy: -63.817 Base-Backbone interact. energy: -0.024 local terms energy: -70.624550 where: bonds (distance) C4'-P energy: -10.181 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -15.974 flat angles P-C4'-P energy: -10.058 tors. eta vs tors. theta energy: -20.973 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: 4 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -190.245570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.245570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.245570 (E_RNA) where: Base-Base interactions energy: -132.529 where: short stacking energy: -57.292 Base-Backbone interact. energy: -0.092 local terms energy: -57.624681 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -12.171 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -15.154 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: 7 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -172.658675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.658675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.658675 (E_RNA) where: Base-Base interactions energy: -119.787 where: short stacking energy: -50.502 Base-Backbone interact. energy: -0.000 local terms energy: -52.871469 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -6.353 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -12.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -83.159980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.159980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.159980 (E_RNA) where: Base-Base interactions energy: -37.593 where: short stacking energy: -35.333 Base-Backbone interact. energy: -0.222 local terms energy: -45.344800 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -6.249 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: 2 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -223.107894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.107894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.107894 (E_RNA) where: Base-Base interactions energy: -148.040 where: short stacking energy: -69.513 Base-Backbone interact. energy: 1.800 local terms energy: -76.867973 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -14.762 flat angles P-C4'-P energy: -13.022 tors. eta vs tors. theta energy: -19.237 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: 2, replica: 8 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -217.820846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.820846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.820846 (E_RNA) where: Base-Base interactions energy: -148.042 where: short stacking energy: -64.508 Base-Backbone interact. energy: -0.018 local terms energy: -69.761135 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -17.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -216.518942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.518942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.518942 (E_RNA) where: Base-Base interactions energy: -145.570 where: short stacking energy: -62.278 Base-Backbone interact. energy: -0.576 local terms energy: -70.373066 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -9.351 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: 4, replica: 6 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -186.080003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.080003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.080003 (E_RNA) where: Base-Base interactions energy: -125.135 where: short stacking energy: -56.621 Base-Backbone interact. energy: -0.756 local terms energy: -60.189340 where: bonds (distance) C4'-P energy: -11.862 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -13.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -207.002067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.002067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.002067 (E_RNA) where: Base-Base interactions energy: -144.522 where: short stacking energy: -56.372 Base-Backbone interact. energy: -0.128 local terms energy: -62.351877 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -10.743 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -14.869 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: 3 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -198.969201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.969201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.969201 (E_RNA) where: Base-Base interactions energy: -136.261 where: short stacking energy: -56.062 Base-Backbone interact. energy: -0.113 local terms energy: -62.595724 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -3.601 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: 10 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -193.826858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.826858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.826858 (E_RNA) where: Base-Base interactions energy: -135.037 where: short stacking energy: -48.153 Base-Backbone interact. energy: -0.103 local terms energy: -58.687081 where: bonds (distance) C4'-P energy: -10.885 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -12.475 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: 4 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -195.789652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.789652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.789652 (E_RNA) where: Base-Base interactions energy: -139.115 where: short stacking energy: -63.034 Base-Backbone interact. energy: -0.025 local terms energy: -56.649506 where: bonds (distance) C4'-P energy: -3.201 bonds (distance) P-C4' energy: -11.234 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -20.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -167.013013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.013013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.013013 (E_RNA) where: Base-Base interactions energy: -108.002 where: short stacking energy: -47.396 Base-Backbone interact. energy: -0.008 local terms energy: -59.002930 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -14.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -77.225134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.225134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.225134 (E_RNA) where: Base-Base interactions energy: -31.268 where: short stacking energy: -31.268 Base-Backbone interact. energy: -0.009 local terms energy: -45.947998 where: bonds (distance) C4'-P energy: -8.189 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -4.348 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) out arg RESULTS//1/14019_5_TR-dbbc25f2_01 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: 500 Temperature: 0.900000 Total energy: -220.128184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.128184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.128184 (E_RNA) where: Base-Base interactions energy: -148.149 where: short stacking energy: -66.450 Base-Backbone interact. energy: -1.060 local terms energy: -70.918815 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -15.041 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -19.857 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: 2, replica: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -214.698788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.698788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.698788 (E_RNA) where: Base-Base interactions energy: -145.482 where: short stacking energy: -67.409 Base-Backbone interact. energy: -0.001 local terms energy: -69.215846 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -15.897 flat angles P-C4'-P energy: -8.140 tors. eta vs tors. theta energy: -16.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -212.989836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.989836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.989836 (E_RNA) where: Base-Base interactions energy: -154.040 where: short stacking energy: -67.556 Base-Backbone interact. energy: -0.078 local terms energy: -58.872410 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -10.899 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -6.846 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: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -208.534205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.534205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.534205 (E_RNA) where: Base-Base interactions energy: -145.066 where: short stacking energy: -61.885 Base-Backbone interact. energy: -0.037 local terms energy: -63.431113 where: bonds (distance) C4'-P energy: -12.051 bonds (distance) P-C4' energy: -9.669 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -8.384 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: 5, replica: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -200.503824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.503824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.503824 (E_RNA) where: Base-Base interactions energy: -145.625 where: short stacking energy: -56.123 Base-Backbone interact. energy: -0.134 local terms energy: -54.744618 where: bonds (distance) C4'-P energy: -10.024 bonds (distance) P-C4' energy: -9.931 flat angles C4'-P-C4' energy: -9.572 flat angles P-C4'-P energy: -12.075 tors. eta vs tors. theta energy: -13.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -188.120152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.120152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.120152 (E_RNA) where: Base-Base interactions energy: -126.174 where: short stacking energy: -50.248 Base-Backbone interact. energy: -0.138 local terms energy: -61.808229 where: bonds (distance) C4'-P energy: -12.623 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -9.407 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: 7, replica: 4 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -196.910470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.910470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.910470 (E_RNA) where: Base-Base interactions energy: -134.914 where: short stacking energy: -56.987 Base-Backbone interact. energy: -0.001 local terms energy: -61.995055 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -11.244 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -14.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -178.782765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.782765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.782765 (E_RNA) where: Base-Base interactions energy: -128.383 where: short stacking energy: -50.456 Base-Backbone interact. energy: -0.241 local terms energy: -50.158356 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -9.454 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -10.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -158.360927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.360927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.360927 (E_RNA) where: Base-Base interactions energy: -102.749 where: short stacking energy: -47.933 Base-Backbone interact. energy: -0.976 local terms energy: -54.636384 where: bonds (distance) C4'-P energy: -14.222 bonds (distance) P-C4' energy: -11.410 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -9.530 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: 500 Temperature: 1.350000 Total energy: -76.291635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.291635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.291635 (E_RNA) where: Base-Base interactions energy: -30.407 where: short stacking energy: -23.073 Base-Backbone interact. energy: 0.656 local terms energy: -46.540435 where: bonds (distance) C4'-P energy: -12.088 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -10.687 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -4.064 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) 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: -218.673331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.673331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.673331 (E_RNA) where: Base-Base interactions energy: -149.927 where: short stacking energy: -67.454 Base-Backbone interact. energy: -0.128 local terms energy: -68.618455 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -15.151 flat angles P-C4'-P energy: -10.923 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: 2, replica: 6 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -219.876226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.876226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.876226 (E_RNA) where: Base-Base interactions energy: -151.532 where: short stacking energy: -69.229 Base-Backbone interact. energy: -0.003 local terms energy: -68.341631 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -11.009 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -10.037 tors. eta vs tors. theta energy: -20.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -218.454157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.454157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.454157 (E_RNA) where: Base-Base interactions energy: -144.856 where: short stacking energy: -66.773 Base-Backbone interact. energy: -0.284 local terms energy: -73.314255 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -18.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -207.078005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.078005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.078005 (E_RNA) where: Base-Base interactions energy: -140.780 where: short stacking energy: -57.958 Base-Backbone interact. energy: -0.002 local terms energy: -66.296464 where: bonds (distance) C4'-P energy: -9.360 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -15.713 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: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -199.213168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.213168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.213168 (E_RNA) where: Base-Base interactions energy: -139.705 where: short stacking energy: -58.672 Base-Backbone interact. energy: 0.076 local terms energy: -59.583812 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -10.732 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -13.753 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: 4 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -207.973378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.973378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.973378 (E_RNA) where: Base-Base interactions energy: -138.995 where: short stacking energy: -62.388 Base-Backbone interact. energy: -0.092 local terms energy: -68.885477 where: bonds (distance) C4'-P energy: -13.149 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -12.199 tors. eta vs tors. theta energy: -16.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -172.427784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.427784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.427784 (E_RNA) where: Base-Base interactions energy: -115.921 where: short stacking energy: -56.369 Base-Backbone interact. energy: -0.290 local terms energy: -56.217319 where: bonds (distance) C4'-P energy: -10.925 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -11.272 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -13.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -184.934065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.934065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.934065 (E_RNA) where: Base-Base interactions energy: -130.126 where: short stacking energy: -61.062 Base-Backbone interact. energy: -0.062 local terms energy: -54.745651 where: bonds (distance) C4'-P energy: -7.805 bonds (distance) P-C4' energy: -11.340 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -8.171 tors. eta vs tors. theta energy: -13.761 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: 10 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -159.639823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.639823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.639823 (E_RNA) where: Base-Base interactions energy: -107.572 where: short stacking energy: -47.982 Base-Backbone interact. energy: -0.174 local terms energy: -51.894266 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -77.656353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.656353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.656353 (E_RNA) where: Base-Base interactions energy: -31.611 where: short stacking energy: -22.491 Base-Backbone interact. energy: -0.179 local terms energy: -45.866281 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: 1.343 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) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 14200941 moves confirmed later: 16783896 all moves confirmed: 30984837 percent of confirmed moves: 3.873105 current total energy: -208.260079 recalc. total energy: -208.260079 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 17770853 moves confirmed later: 21638300 all moves confirmed: 39409153 percent of confirmed moves: 4.926144 current total energy: -191.114008 recalc. total energy: -191.114008 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 10891032 moves confirmed later: 12373736 all moves confirmed: 23264768 percent of confirmed moves: 2.908096 current total energy: -197.186173 recalc. total energy: -197.186173 replica 3 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 10849066 moves confirmed later: 12286419 all moves confirmed: 23135485 percent of confirmed moves: 2.891936 current total energy: -161.750364 recalc. total energy: -161.750364 replica 4 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 10909153 moves confirmed later: 12391835 all moves confirmed: 23300988 percent of confirmed moves: 2.912624 current total energy: -170.550042 recalc. total energy: -170.550042 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 11303988 moves confirmed later: 12932259 all moves confirmed: 24236247 percent of confirmed moves: 3.029531 current total energy: -166.313116 recalc. total energy: -166.313116 replica 7 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 22253484 moves confirmed later: 27636538 all moves confirmed: 49890022 percent of confirmed moves: 6.236253 current total energy: -159.750618 recalc. total energy: -159.750618 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 11487063 moves confirmed later: 13169140 all moves confirmed: 24656203 percent of confirmed moves: 3.082025 current total energy: -94.516844 recalc. total energy: -94.516844 replica 10 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 11785370 moves confirmed later: 13536078 all moves confirmed: 25321448 percent of confirmed moves: 3.165181 current total energy: -113.391266 recalc. total energy: -113.391266 replica 1 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 18527123 moves confirmed later: 22688486 all moves confirmed: 41215609 percent of confirmed moves: 5.151951 current total energy: -28.974726 recalc. total energy: -28.974726 Time of doing 8000000 iterations: 1842.008 seconds